4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine

C16H33N3 — CID 65078360

IUPAC4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine
SMILESCCCN(C1CC1)C1(CN)CCCN(C(C)C)CC1
InChIInChI=1S/C16H33N3/c1-4-10-19(15-6-7-15)16(13-17)8-5-11-18(12-9-16)14(2)3/h14-15H,4-13,17H2,1-3H3
InChIKeyCDEUVEFOCKBGEY-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.45
Rot. Bonds6

About 4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine

4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine (PubChem CID 65078360) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine
PubChem CID65078360
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine
SMILESCCCN(C1CC1)C1(CN)CCCN(C(C)C)CC1
InChIInChI=1S/C16H33N3/c1-4-10-19(15-6-7-15)16(13-17)8-5-11-18(12-9-16)14(2)3/h14-15H,4-13,17H2,1-3H3
InChIKeyCDEUVEFOCKBGEY-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-cyclopropyl-N-propylcyclohexan-1-amine
CID 43270236
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-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65078649
4-(aminomethyl)-N-butyl-N-methyl-1-propan-2-ylazepan-4-amine
CID 65078409
4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine
CID 65078658
1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine
CID 79521257
4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine
CID 65075349
4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine
CID 65078374
4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine
CID 82733977
3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine
CID 63335549
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-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine (CID 65078360) is 4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine is CCCN(C1CC1)C1(CN)CCCN(C(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine?
The InChIKey is CDEUVEFOCKBGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-10-19(15-6-7-15)16(13-17)8-5-11-18(12-9-16)14(2)3/h14-15H,4-13,17H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine?
4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine has a molecular weight of 267.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine is sourced from PubChem (CID 65078360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).