tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate

C19H36N2O2 — CID 107242237

IUPACtert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate
SMILESCN(CCCNC1CCC2(CCCC2)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H36N2O2/c1-18(2,3)23-17(22)21(4)15-7-14-20-16-8-12-19(13-9-16)10-5-6-11-19/h16,20H,5-15H2,1-4H3
InChIKeyPUKBGXUFSUMINT-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.34
Rot. Bonds5

About tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate

tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate (PubChem CID 107242237) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate
PubChem CID107242237
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nametert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate
SMILESCN(CCCNC1CCC2(CCCC2)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H36N2O2/c1-18(2,3)23-17(22)21(4)15-7-14-20-16-8-12-19(13-9-16)10-5-6-11-19/h16,20H,5-15H2,1-4H3
InChIKeyPUKBGXUFSUMINT-UHFFFAOYSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699070
tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate
CID 103698950
tert-butyl N-[3-[(3-methoxycyclohexyl)amino]propyl]-N-methylcarbamate
CID 107242031
tert-butyl N-[3-(azetidin-3-ylamino)propyl]-N-methylcarbamate
CID 107242227
tert-butyl N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate
CID 103781266
tert-butyl N-methyl-N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 103699060
ethyl 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate
CID 113352339
tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103698952
tert-butyl N-[3-[(4,4-dimethylcycloheptyl)amino]propyl]-N-ethylcarbamate
CID 107242640
tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate
CID 103781210
tert-butyl N-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)propyl]-N-methylcarbamate
CID 107242029
3-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817188

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate (CID 107242237) is tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate is CN(CCCNC1CCC2(CCCC2)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate?
The InChIKey is PUKBGXUFSUMINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-18(2,3)23-17(22)21(4)15-7-14-20-16-8-12-19(13-9-16)10-5-6-11-19/h16,20H,5-15H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate?
tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate has a molecular weight of 324.51 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate is sourced from PubChem (CID 107242237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).