4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine

C13H27N3 — CID 65075349

IUPAC4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine
SMILESCCN(C1CC1)C1(CN)CCCN(C)CC1
InChIInChI=1S/C13H27N3/c1-3-16(12-5-6-12)13(11-14)7-4-9-15(2)10-8-13/h12H,3-11,14H2,1-2H3
InChIKeyRWZZJGNWLCKOAO-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.28
Rot. Bonds4

About 4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine

4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine (PubChem CID 65075349) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine
PubChem CID65075349
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine
SMILESCCN(C1CC1)C1(CN)CCCN(C)CC1
InChIInChI=1S/C13H27N3/c1-3-16(12-5-6-12)13(11-14)7-4-9-15(2)10-8-13/h12H,3-11,14H2,1-2H3
InChIKeyRWZZJGNWLCKOAO-UHFFFAOYSA-N
XLogP1.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylpyrrolidin-3-amine
CID 62977308
1-(aminomethyl)-N-cyclopropyl-N-ethylcyclooctan-1-amine
CID 43264050
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-methylazepan-4-amine
CID 107397807
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine
CID 65074989
4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine
CID 65078374
1-(aminomethyl)-N-cyclopropyl-N-propylcyclohexan-1-amine
CID 43270236
4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078360
1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine
CID 79521257
4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine
CID 65078650
N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
3-(aminomethyl)-N-cyclopropyl-N-ethyl-1,5-dimethylpyrrolidin-3-amine
CID 81467476
1-(aminomethyl)-N-cyclopentyl-N,4-diethylcycloheptan-1-amine
CID 65088312

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine (CID 65075349) is 4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine is CCN(C1CC1)C1(CN)CCCN(C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine?
The InChIKey is RWZZJGNWLCKOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-16(12-5-6-12)13(11-14)7-4-9-15(2)10-8-13/h12H,3-11,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine?
4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine has a molecular weight of 225.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine is sourced from PubChem (CID 65075349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).