5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol

C15H31NO — CID 107302888

IUPAC5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
SMILESCC(C)(C)C1CCC(NCCCCCO)CC1
InChIInChI=1S/C15H31NO/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-17/h13-14,16-17H,4-12H2,1-3H3
InChIKeySNWXBUKKWAZAMU-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.34
Rot. Bonds6

About 5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol

5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol (PubChem CID 107302888) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
PubChem CID107302888
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
SMILESCC(C)(C)C1CCC(NCCCCCO)CC1
InChIInChI=1S/C15H31NO/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-17/h13-14,16-17H,4-12H2,1-3H3
InChIKeySNWXBUKKWAZAMU-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
CID 107849266
4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 2846375
5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol
CID 106144752
methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate
CID 60782440
N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine
CID 8024756
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol
CID 64741111
N'-tert-butyl-N-cyclopropyloctane-1,8-diamine
CID 66338082
6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol
CID 114008759
4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine
CID 115516563
N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040900

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol?
The IUPAC name of 5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol (CID 107302888) is 5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol?
The canonical SMILES for 5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol is CC(C)(C)C1CCC(NCCCCCO)CC1.
What is the InChIKey of 5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol?
The InChIKey is SNWXBUKKWAZAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-17/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol?
5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol is sourced from PubChem (CID 107302888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).