2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine

C16H34N2 — CID 62611425

IUPAC2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine
SMILESCCCCN(CC1CCCCCC1N)C(C)CC
InChIInChI=1S/C16H34N2/c1-4-6-12-18(14(3)5-2)13-15-10-8-7-9-11-16(15)17/h14-16H,4-13,17H2,1-3H3
InChIKeyVELRWMOJDPHSQV-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.79
Rot. Bonds7

About 2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine

2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine (PubChem CID 62611425) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine
PubChem CID62611425
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine
SMILESCCCCN(CC1CCCCCC1N)C(C)CC
InChIInChI=1S/C16H34N2/c1-4-6-12-18(14(3)5-2)13-15-10-8-7-9-11-16(15)17/h14-16H,4-13,17H2,1-3H3
InChIKeyVELRWMOJDPHSQV-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine
CID 62614684
2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine
CID 62615538
5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855868
2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 63493052
2-[[butyl(methyl)amino]methyl]cyclopentan-1-amine
CID 62616937
N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
CID 64570168
2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
CID 62614941
2-[[butan-2-yl(methyl)amino]methyl]cyclopentan-1-amine
CID 62615734
2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 79565510
2-[[methyl(pentyl)amino]methyl]cyclopentan-1-amine
CID 62615567
2-(diethylaminomethyl)cycloheptan-1-amine
CID 62616063
2-[[cyclohexyl(ethyl)amino]methyl]cyclohexan-1-amine
CID 55093825

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine?
The IUPAC name of 2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine (CID 62611425) is 2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine.
What is the SMILES notation for 2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine?
The canonical SMILES for 2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine is CCCCN(CC1CCCCCC1N)C(C)CC.
What is the InChIKey of 2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine?
The InChIKey is VELRWMOJDPHSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-6-12-18(14(3)5-2)13-15-10-8-7-9-11-16(15)17/h14-16H,4-13,17H2,1-3H3.
What are the key properties of 2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine?
2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine is sourced from PubChem (CID 62611425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).