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

C18H37N3 — CID 65091731

IUPACN-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine
SMILESCC(C)C1CCCC(CN)(N(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-15(2)16-6-5-10-18(14-19,11-7-16)21(4)17-8-12-20(3)13-9-17/h15-17H,5-14,19H2,1-4H3
InChIKeyAGVRHDDSJIMIDZ-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.95
Rot. Bonds4

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

N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 65091731) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine
PubChem CID65091731
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine
SMILESCC(C)C1CCCC(CN)(N(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-15(2)16-6-5-10-18(14-19,11-7-16)21(4)17-8-12-20(3)13-9-17/h15-17H,5-14,19H2,1-4H3
InChIKeyAGVRHDDSJIMIDZ-UHFFFAOYSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091585
N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65078649
1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63233140
4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine
CID 65078650
N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine
CID 54942199
1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
CID 63467007
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65089199
1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091297
N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine
CID 63335656
N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65089094
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine
CID 62547640

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine (CID 65091731) is N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine is CC(C)C1CCCC(CN)(N(C)C2CCN(C)CC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is AGVRHDDSJIMIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-15(2)16-6-5-10-18(14-19,11-7-16)21(4)17-8-12-20(3)13-9-17/h15-17H,5-14,19H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine?
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 295.51 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 65091731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).