4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine

C16H29N3O — CID 65078163

IUPAC4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(N(C)Cc2ccco2)CC1
InChIInChI=1S/C16H29N3O/c1-3-9-19-10-5-7-16(14-17,8-11-19)18(2)13-15-6-4-12-20-15/h4,6,12H,3,5,7-11,13-14,17H2,1-2H3
InChIKeyLTBWWFDQXSXAGO-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.30
Rot. Bonds6

About 4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine

4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine (PubChem CID 65078163) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine
PubChem CID65078163
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(N(C)Cc2ccco2)CC1
InChIInChI=1S/C16H29N3O/c1-3-9-19-10-5-7-16(14-17,8-11-19)18(2)13-15-6-4-12-20-15/h4,6,12H,3,5,7-11,13-14,17H2,1-2H3
InChIKeyLTBWWFDQXSXAGO-UHFFFAOYSA-N
XLogP2.30
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine (CID 65078163) is 4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine is CCCN1CCCC(CN)(N(C)Cc2ccco2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine?
The InChIKey is LTBWWFDQXSXAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-9-19-10-5-7-16(14-17,8-11-19)18(2)13-15-6-4-12-20-15/h4,6,12H,3,5,7-11,13-14,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine?
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine has a molecular weight of 279.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine is sourced from PubChem (CID 65078163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).