1-(2-ethylbutyl)-4-methylcycloheptan-1-amine

C14H29N — CID 82919408

IUPAC1-(2-ethylbutyl)-4-methylcycloheptan-1-amine
SMILESCCC(CC)CC1(N)CCCC(C)CC1
InChIInChI=1S/C14H29N/c1-4-13(5-2)11-14(15)9-6-7-12(3)8-10-14/h12-13H,4-11,15H2,1-3H3
InChIKeySNWVUCSAMPWTDP-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.11
Rot. Bonds4

About 1-(2-ethylbutyl)-4-methylcycloheptan-1-amine

1-(2-ethylbutyl)-4-methylcycloheptan-1-amine (PubChem CID 82919408) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(2-ethylbutyl)-4-methylcycloheptan-1-amine
PubChem CID82919408
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-(2-ethylbutyl)-4-methylcycloheptan-1-amine
SMILESCCC(CC)CC1(N)CCCC(C)CC1
InChIInChI=1S/C14H29N/c1-4-13(5-2)11-14(15)9-6-7-12(3)8-10-14/h12-13H,4-11,15H2,1-3H3
InChIKeySNWVUCSAMPWTDP-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylhexyl)-4-methylcyclohexan-1-amine
CID 63407642
4-methyl-1-(2-methylpentyl)cycloheptan-1-amine
CID 65080308
1-(2-ethylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 82920282
1-(2-ethylbutyl)-3-propan-2-ylcyclohexan-1-amine
CID 107450116
4-(2-ethylbutyl)oxepan-4-amine
CID 82920878
1,4-dimethylcycloheptan-1-amine
CID 65080006
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340
1-(2-ethylbutyl)-1-methoxy-4-methylcyclohexane
CID 71050907
3-methyl-1-(2-methylbutyl)cyclopentan-1-amine
CID 64515762
[1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine
CID 82934663
1-(aminomethyl)-4-methylcyclohexan-1-amine
CID 43519520
4-methyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65081188

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-4-methylcycloheptan-1-amine?
The IUPAC name of 1-(2-ethylbutyl)-4-methylcycloheptan-1-amine (CID 82919408) is 1-(2-ethylbutyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(2-ethylbutyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for 1-(2-ethylbutyl)-4-methylcycloheptan-1-amine is CCC(CC)CC1(N)CCCC(C)CC1.
What is the InChIKey of 1-(2-ethylbutyl)-4-methylcycloheptan-1-amine?
The InChIKey is SNWVUCSAMPWTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-13(5-2)11-14(15)9-6-7-12(3)8-10-14/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 1-(2-ethylbutyl)-4-methylcycloheptan-1-amine?
1-(2-ethylbutyl)-4-methylcycloheptan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 82919408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).