(4-butyl-1-cycloheptylcyclohexyl)methanamine

C18H35N — CID 82933672

IUPAC(4-butyl-1-cycloheptylcyclohexyl)methanamine
SMILESCCCCC1CCC(CN)(C2CCCCCC2)CC1
InChIInChI=1S/C18H35N/c1-2-3-8-16-11-13-18(15-19,14-12-16)17-9-6-4-5-7-10-17/h16-17H,2-15,19H2,1H3
InChIKeyFUKADWLUWAVRNX-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.28
Rot. Bonds5

About (4-butyl-1-cycloheptylcyclohexyl)methanamine

(4-butyl-1-cycloheptylcyclohexyl)methanamine (PubChem CID 82933672) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is (4-butyl-1-cycloheptylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-butyl-1-cycloheptylcyclohexyl)methanamine
PubChem CID82933672
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name(4-butyl-1-cycloheptylcyclohexyl)methanamine
SMILESCCCCC1CCC(CN)(C2CCCCCC2)CC1
InChIInChI=1S/C18H35N/c1-2-3-8-16-11-13-18(15-19,14-12-16)17-9-6-4-5-7-10-17/h16-17H,2-15,19H2,1H3
InChIKeyFUKADWLUWAVRNX-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butyl-1-cycloheptylcyclohexane-1-carboxylic acid
CID 82929194
4-butyl-4-cyclohexylcyclohexane-1-carbonitrile
CID 143135178
butylcyclohexane;N-methylmethanamine
CID 174941558
CID 171376493
CID 171376493
1-butyl-4-propylcyclononane
CID 123467552
1-butyl-1-cycloheptylcycloheptane
CID 140610618
(1-cyclopropylcyclooctyl)methanamine
CID 130515109
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1-butyl-1-cyclohexyl-4-methylcyclohexane
CID 139676896
4-cyclohexyl-1-(4-heptylcyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 57025886
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
5-[2-(1-cyclohexyl-4-hexylcyclohexyl)ethyl]-1,2,3-trifluorobenzene
CID 67923341

Frequently Asked Questions

What is the IUPAC name of (4-butyl-1-cycloheptylcyclohexyl)methanamine?
The IUPAC name of (4-butyl-1-cycloheptylcyclohexyl)methanamine (CID 82933672) is (4-butyl-1-cycloheptylcyclohexyl)methanamine.
What is the SMILES notation for (4-butyl-1-cycloheptylcyclohexyl)methanamine?
The canonical SMILES for (4-butyl-1-cycloheptylcyclohexyl)methanamine is CCCCC1CCC(CN)(C2CCCCCC2)CC1.
What is the InChIKey of (4-butyl-1-cycloheptylcyclohexyl)methanamine?
The InChIKey is FUKADWLUWAVRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-2-3-8-16-11-13-18(15-19,14-12-16)17-9-6-4-5-7-10-17/h16-17H,2-15,19H2,1H3.
What are the key properties of (4-butyl-1-cycloheptylcyclohexyl)methanamine?
(4-butyl-1-cycloheptylcyclohexyl)methanamine has a molecular weight of 265.48 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyl-1-cycloheptylcyclohexyl)methanamine is sourced from PubChem (CID 82933672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).