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

C17H37N3 — CID 79484107

IUPAC4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine
SMILESCCC(CC)N(CC(C)C)C1(CN)CCCN(C)CC1
InChIInChI=1S/C17H37N3/c1-6-16(7-2)20(13-15(3)4)17(14-18)9-8-11-19(5)12-10-17/h15-16H,6-14,18H2,1-5H3
InChIKeyWXSXENSZXKJDDA-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.95
Rot. Bonds7

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

4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine (PubChem CID 79484107) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine
PubChem CID79484107
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine
SMILESCCC(CC)N(CC(C)C)C1(CN)CCCN(C)CC1
InChIInChI=1S/C17H37N3/c1-6-16(7-2)20(13-15(3)4)17(14-18)9-8-11-19(5)12-10-17/h15-16H,6-14,18H2,1-5H3
InChIKeyWXSXENSZXKJDDA-UHFFFAOYSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine
CID 79483196
4-(aminomethyl)-N-butan-2-yl-N-butyl-1-methylazepan-4-amine
CID 65075573
4-(aminomethyl)-1-methyl-N-pentyl-N-propan-2-ylazepan-4-amine
CID 65075464
N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65074890
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine
CID 65074989
4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine
CID 65078658
1-(aminomethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclobutan-1-amine
CID 79520911
4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine
CID 65075349
2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188053
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine
CID 65078460
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-methylazepan-4-amine
CID 107397807
1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853588

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine (CID 79484107) is 4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine is CCC(CC)N(CC(C)C)C1(CN)CCCN(C)CC1.
What is the InChIKey of 4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine?
The InChIKey is WXSXENSZXKJDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-6-16(7-2)20(13-15(3)4)17(14-18)9-8-11-19(5)12-10-17/h15-16H,6-14,18H2,1-5H3.
What are the key properties of 4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine?
4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine has a molecular weight of 283.50 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine is sourced from PubChem (CID 79484107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).