4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine

C16H33N3 — CID 65075980

IUPAC4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine
SMILESCC1CC1CN(C)C1(CN)CCCN(C(C)C)CC1
InChIInChI=1S/C16H33N3/c1-13(2)19-8-5-6-16(12-17,7-9-19)18(4)11-15-10-14(15)3/h13-15H,5-12,17H2,1-4H3
InChIKeyXSRHJGLMGGLJCW-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.17
Rot. Bonds5

About 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine

4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine (PubChem CID 65075980) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine
PubChem CID65075980
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine
SMILESCC1CC1CN(C)C1(CN)CCCN(C(C)C)CC1
InChIInChI=1S/C16H33N3/c1-13(2)19-8-5-6-16(12-17,7-9-19)18(4)11-15-10-14(15)3/h13-15H,5-12,17H2,1-4H3
InChIKeyXSRHJGLMGGLJCW-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]cycloheptan-1-amine
CID 63879073
4-(aminomethyl)-N-methyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078410
4-(aminomethyl)-N-butyl-N-methyl-1-propan-2-ylazepan-4-amine
CID 65078409
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine
CID 65078106
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine
CID 65078125
4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine
CID 65078658
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65078649
4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine
CID 82733977
4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078360
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 61415917
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine
CID 62547640
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine
CID 24710650

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine (CID 65075980) is 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine is CC1CC1CN(C)C1(CN)CCCN(C(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine?
The InChIKey is XSRHJGLMGGLJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-13(2)19-8-5-6-16(12-17,7-9-19)18(4)11-15-10-14(15)3/h13-15H,5-12,17H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine?
4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine has a molecular weight of 267.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65075980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).