[1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium

C18H34N5O+ — CID 168983466

IUPAC[1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium
SMILESC=[N+](CC)N1CCN(CC2CC2)C2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C18H34N5O/c1-5-20(4)23-13-12-22(14-16-6-7-16)18(15-23)8-10-21(11-9-18)17(24)19(2)3/h16H,4-15H2,1-3H3/q+1
InChIKeyGPIHGORBFKPRMA-UHFFFAOYSA-N
MW336.50 g/mol
LogP1.18
Rot. Bonds4

About [1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium

[1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium (PubChem CID 168983466) has the molecular formula C18H34N5O+ and a molecular weight of 336.50 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium
PubChem CID168983466
Molecular FormulaC18H34N5O+
Molecular Weight336.50 g/mol
Exact Mass336.28
IUPAC Name[1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium
SMILESC=[N+](CC)N1CCN(CC2CC2)C2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C18H34N5O/c1-5-20(4)23-13-12-22(14-16-6-7-16)18(15-23)8-10-21(11-9-18)17(24)19(2)3/h16H,4-15H2,1-3H3/q+1
InChIKeyGPIHGORBFKPRMA-UHFFFAOYSA-N
XLogP1.18
TPSA33.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 167202030
N,N,4-trimethyl-1-propyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115239
1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168983517
13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 118742280
(4S,5S)-2-(cyclopropylmethyl)-4-(methoxymethyl)-N,N-dimethyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 125213110
2-(methoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 133140590
4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 131658398
10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide
CID 176790208
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
CID 134070362
(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-N,N-dimethyl-2,7-diazaspiro[4.4]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155851937
3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid
CID 155850228

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium?
The IUPAC name of [1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium (CID 168983466) is [1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium.
What is the SMILES notation for [1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium?
The canonical SMILES for [1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium is C=[N+](CC)N1CCN(CC2CC2)C2(CCN(C(=O)N(C)C)CC2)C1.
What is the InChIKey of [1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium?
The InChIKey is GPIHGORBFKPRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N5O/c1-5-20(4)23-13-12-22(14-16-6-7-16)18(15-23)8-10-21(11-9-18)17(24)19(2)3/h16H,4-15H2,1-3H3/q+1.
What are the key properties of [1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium?
[1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium has a molecular weight of 336.50 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium is sourced from PubChem (CID 168983466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).