N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine

C16H33N3 — CID 83011025

IUPACN-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine
SMILESCC(C)C1CCCC(CN)(NN2CCCCC2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)15-7-6-9-16(13-17,10-8-15)18-19-11-4-3-5-12-19/h14-15,18H,3-13,17H2,1-2H3
InChIKeyZWVLSJUONOUPBM-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.91
Rot. Bonds4

About N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine

N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine (PubChem CID 83011025) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine
PubChem CID83011025
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine
SMILESCC(C)C1CCCC(CN)(NN2CCCCC2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)15-7-6-9-16(13-17,10-8-15)18-19-11-4-3-5-12-19/h14-15,18H,3-13,17H2,1-2H3
InChIKeyZWVLSJUONOUPBM-UHFFFAOYSA-N
XLogP2.91
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 65089340
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]piperidin-1-amine
CID 83011314
1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine
CID 65383023
1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine
CID 107449145
3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol
CID 65377199
N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine
CID 83010725
1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine
CID 113465530
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine
CID 107449208
1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 65385184
N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]morpholin-4-amine
CID 103563113
N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]piperidin-1-amine
CID 83011927
1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine
CID 65385412

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine?
The IUPAC name of N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine (CID 83011025) is N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine.
What is the SMILES notation for N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine?
The canonical SMILES for N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine is CC(C)C1CCCC(CN)(NN2CCCCC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine?
The InChIKey is ZWVLSJUONOUPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(2)15-7-6-9-16(13-17,10-8-15)18-19-11-4-3-5-12-19/h14-15,18H,3-13,17H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine?
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine is sourced from PubChem (CID 83011025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).