4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine

C12H26N2O — CID 65078991

IUPAC4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine
SMILESCCCCN(C)C1(CN)CCCOCC1
InChIInChI=1S/C12H26N2O/c1-3-4-8-14(2)12(11-13)6-5-9-15-10-7-12/h3-11,13H2,1-2H3
InChIKeyOOACJRCZLWAYJK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.62
Rot. Bonds5

About 4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine

4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine (PubChem CID 65078991) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine
PubChem CID65078991
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine
SMILESCCCCN(C)C1(CN)CCCOCC1
InChIInChI=1S/C12H26N2O/c1-3-4-8-14(2)12(11-13)6-5-9-15-10-7-12/h3-11,13H2,1-2H3
InChIKeyOOACJRCZLWAYJK-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-butyl-N-methylcyclopropan-1-amine
CID 106661013
1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
CID 63481336
4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine
CID 105414221
4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine
CID 81059601
4-(aminomethyl)-N-propan-2-yl-N-propyloxepan-4-amine
CID 65079379
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine
CID 65079226
1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091297
4-(aminomethyl)-N-butyl-N-methyl-1-propan-2-ylazepan-4-amine
CID 65078409
1-(aminomethyl)-N-(3-fluoropropyl)-N-methylcyclopentan-1-amine
CID 81106189
2-N-[4-(aminomethyl)oxepan-4-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188230
4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
CID 65078655
4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine
CID 65079500

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine (CID 65078991) is 4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine is CCCCN(C)C1(CN)CCCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine?
The InChIKey is OOACJRCZLWAYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-8-14(2)12(11-13)6-5-9-15-10-7-12/h3-11,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine?
4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine has a molecular weight of 214.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine is sourced from PubChem (CID 65078991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).