1-butan-2-yl-4-propylcyclohexan-1-amine

C13H27N — CID 79445578

IUPAC1-butan-2-yl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(C(C)CC)CC1
InChIInChI=1S/C13H27N/c1-4-6-12-7-9-13(14,10-8-12)11(3)5-2/h11-12H,4-10,14H2,1-3H3
InChIKeyUGHVZUWLUOFDID-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.72
Rot. Bonds4

About 1-butan-2-yl-4-propylcyclohexan-1-amine

1-butan-2-yl-4-propylcyclohexan-1-amine (PubChem CID 79445578) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-butan-2-yl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-butan-2-yl-4-propylcyclohexan-1-amine
PubChem CID79445578
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-butan-2-yl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(C(C)CC)CC1
InChIInChI=1S/C13H27N/c1-4-6-12-7-9-13(14,10-8-12)11(3)5-2/h11-12H,4-10,14H2,1-3H3
InChIKeyUGHVZUWLUOFDID-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-propan-2-yl-4-propylcycloheptan-1-amine
CID 65086543
1-(2-methylbutyl)-4-propylcyclohexan-1-amine
CID 63407800
1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine
CID 114200635
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
1-cyclohexyl-4-propylcycloheptan-1-amine
CID 65086734
1-(2-methylsulfonylethyl)-4-propylcyclohexan-1-amine
CID 62596905
7-propylspiro[3.5]nonane
CID 144910869
1-(4-ethylcyclohexyl)-4-propylcyclohexan-1-amine
CID 64750303
2,4-dipropylcyclohexane-1,1-diamine
CID 22921284
1-[(2-methylpropylamino)methyl]-4-propylcyclohexan-1-ol
CID 62774717
1-(propan-2-yloxymethyl)-4-propylcyclohexan-1-ol
CID 79568462
1,1-bis(butylperoxy)-4-propylcyclohexane
CID 21087801

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-propylcyclohexan-1-amine?
The IUPAC name of 1-butan-2-yl-4-propylcyclohexan-1-amine (CID 79445578) is 1-butan-2-yl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-butan-2-yl-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-butan-2-yl-4-propylcyclohexan-1-amine is CCCC1CCC(N)(C(C)CC)CC1.
What is the InChIKey of 1-butan-2-yl-4-propylcyclohexan-1-amine?
The InChIKey is UGHVZUWLUOFDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-6-12-7-9-13(14,10-8-12)11(3)5-2/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-propylcyclohexan-1-amine?
1-butan-2-yl-4-propylcyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 79445578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).