4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine

C16H35N3 — CID 65078658

IUPAC4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine
SMILESCCC(CC)N(C)C1(CN)CCCN(C(C)C)CC1
InChIInChI=1S/C16H35N3/c1-6-15(7-2)18(5)16(13-17)9-8-11-19(12-10-16)14(3)4/h14-15H,6-13,17H2,1-5H3
InChIKeyNSOUVLCNKPRHMY-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.70
Rot. Bonds6

About 4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine

4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine (PubChem CID 65078658) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine
PubChem CID65078658
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine
SMILESCCC(CC)N(C)C1(CN)CCCN(C(C)C)CC1
InChIInChI=1S/C16H35N3/c1-6-15(7-2)18(5)16(13-17)9-8-11-19(12-10-16)14(3)4/h14-15H,6-13,17H2,1-5H3
InChIKeyNSOUVLCNKPRHMY-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-methyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078410
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine
CID 65078106
4-(aminomethyl)-N-butyl-N-methyl-1-propan-2-ylazepan-4-amine
CID 65078409
4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 55001386
4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078360
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65078649
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine
CID 24710650
4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65075980
4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine
CID 79484107
4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine
CID 82733977
4-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 63982455
4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine
CID 65078077

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine (CID 65078658) is 4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine is CCC(CC)N(C)C1(CN)CCCN(C(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine?
The InChIKey is NSOUVLCNKPRHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-15(7-2)18(5)16(13-17)9-8-11-19(12-10-16)14(3)4/h14-15H,6-13,17H2,1-5H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine?
4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine has a molecular weight of 269.48 g/mol, XLogP of 2.70, 6 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-pentan-3-yl-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65078658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).