N,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine

C22H43N3 — CID 174276534

IUPACN,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine
SMILESCCCC(C)CC1(CN2CCC(N(C)C3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C22H43N3/c1-5-6-19(2)17-22(11-12-22)18-25-15-9-21(10-16-25)24(4)20-7-13-23(3)14-8-20/h19-21H,5-18H2,1-4H3
InChIKeyZZLNXLHQSLJPBR-UHFFFAOYSA-N
MW349.61 g/mol
LogP4.08
Rot. Bonds8

About N,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine

N,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine (PubChem CID 174276534) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is N,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine
PubChem CID174276534
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC NameN,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine
SMILESCCCC(C)CC1(CN2CCC(N(C)C3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C22H43N3/c1-5-6-19(2)17-22(11-12-22)18-25-15-9-21(10-16-25)24(4)20-7-13-23(3)14-8-20/h19-21H,5-18H2,1-4H3
InChIKeyZZLNXLHQSLJPBR-UHFFFAOYSA-N
XLogP4.08
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[[1-(2-methylpentyl)cyclopropyl]methyl]-2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174274966
7-methyl-2-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174349945
N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine
CID 142253638
2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276776
9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane
CID 174276699
7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276821
1-butan-2-yl-4-[[1-[[1-(2-methylbutyl)cyclopropyl]methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174276612
3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine
CID 79642701
[1-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclopropyl]methanamine
CID 103497578
3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane
CID 174276682
N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine
CID 166733475
6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 174276566

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine (CID 174276534) is N,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine is CCCC(C)CC1(CN2CCC(N(C)C3CCN(C)CC3)CC2)CC1.
What is the InChIKey of N,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine?
The InChIKey is ZZLNXLHQSLJPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3/c1-5-6-19(2)17-22(11-12-22)18-25-15-9-21(10-16-25)24(4)20-7-13-23(3)14-8-20/h19-21H,5-18H2,1-4H3.
What are the key properties of N,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine?
N,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine has a molecular weight of 349.61 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[1-[[1-(2-methylpentyl)cyclopropyl]methyl]piperidin-4-yl]piperidin-4-amine is sourced from PubChem (CID 174276534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).