4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine

C18H37N — CID 63401494

IUPAC4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1CCC(C)C
InChIInChI=1S/C18H37N/c1-7-12-19-17-11-10-16(18(4,5)6)13-15(17)9-8-14(2)3/h14-17,19H,7-13H2,1-6H3
InChIKeyVUCCQRFSBVQENG-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.25
Rot. Bonds6

About 4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine

4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine (PubChem CID 63401494) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
PubChem CID63401494
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1CCC(C)C
InChIInChI=1S/C18H37N/c1-7-12-19-17-11-10-16(18(4,5)6)13-15(17)9-8-14(2)3/h14-17,19H,7-13H2,1-6H3
InChIKeyVUCCQRFSBVQENG-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63401586
4-methyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63403394
4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine
CID 63473832
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483435
4-tert-butyl-2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611522
2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 83158482
4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine
CID 63469543
N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022443
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63401093
4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 63401632
4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine
CID 64657231

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine (CID 63401494) is 4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)(C)C)CC1CCC(C)C.
What is the InChIKey of 4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine?
The InChIKey is VUCCQRFSBVQENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-7-12-19-17-11-10-16(18(4,5)6)13-15(17)9-8-14(2)3/h14-17,19H,7-13H2,1-6H3.
What are the key properties of 4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine?
4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63401494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).