1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine

C16H34N2 — CID 65091297

IUPAC1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
SMILESCCCCN(C)C1(CN)CCCC(C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-5-6-12-18(4)16(13-17)10-7-8-15(9-11-16)14(2)3/h14-15H,5-13,17H2,1-4H3
InChIKeyYAXZKAFYQSVKEQ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds6

About 1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine

1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65091297) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
PubChem CID65091297
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
SMILESCCCCN(C)C1(CN)CCCC(C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-5-6-12-18(4)16(13-17)10-7-8-15(9-11-16)14(2)3/h14-15H,5-13,17H2,1-4H3
InChIKeyYAXZKAFYQSVKEQ-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562532
N'-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65089094
1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63471719
1-(aminomethyl)-N-butyl-N-methylcyclopropan-1-amine
CID 106661013
1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine
CID 103562597
1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091585
N'-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,N,N'-trimethylethane-1,2-diamine
CID 107449117
4-(aminomethyl)-N-butyl-N-methyl-1-propan-2-ylazepan-4-amine
CID 65078409
1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
CID 63481336
1-(aminomethyl)-N,4-dimethyl-N-propylcycloheptan-1-amine
CID 65084771
4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine
CID 65078991
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine
CID 115985690

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine (CID 65091297) is 1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine is CCCCN(C)C1(CN)CCCC(C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is YAXZKAFYQSVKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-6-12-18(4)16(13-17)10-7-8-15(9-11-16)14(2)3/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine?
1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65091297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).