4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine

C18H37N — CID 63401586

IUPAC4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
SMILESCCCCCC1CC(C(C)(C)C)CCC1NCCC
InChIInChI=1S/C18H37N/c1-6-8-9-10-15-14-16(18(3,4)5)11-12-17(15)19-13-7-2/h15-17,19H,6-14H2,1-5H3
InChIKeyNBSBKEMQCARRLO-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.40
Rot. Bonds7

About 4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine

4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine (PubChem CID 63401586) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
PubChem CID63401586
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
SMILESCCCCCC1CC(C(C)(C)C)CCC1NCCC
InChIInChI=1S/C18H37N/c1-6-8-9-10-15-14-16(18(3,4)5)11-12-17(15)19-13-7-2/h15-17,19H,6-14H2,1-5H3
InChIKeyNBSBKEMQCARRLO-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
CID 63401228
4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63401494
4-methyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63403659
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63401093
4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483435
4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine
CID 63474740
4-tert-butyl-2-heptylcyclohexan-1-ol
CID 63462001
2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466743
4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine
CID 65097873
3-hexyl-N-propyloxan-4-amine
CID 106469429
1-butyl-4-tert-butyl-2-ethylcyclohexane
CID 123975889
4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 63401632

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine (CID 63401586) is 4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine is CCCCCC1CC(C(C)(C)C)CCC1NCCC.
What is the InChIKey of 4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine?
The InChIKey is NBSBKEMQCARRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-6-8-9-10-15-14-16(18(3,4)5)11-12-17(15)19-13-7-2/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine?
4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63401586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).