4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine

C14H29NO — CID 2846375

IUPAC4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
SMILESCOCCCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-14(2,3)12-6-8-13(9-7-12)15-10-5-11-16-4/h12-13,15H,5-11H2,1-4H3
InChIKeyLXMGPWOOWGYLKO-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds5

About 4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine

4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine (PubChem CID 2846375) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
PubChem CID2846375
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
SMILESCOCCCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-14(2,3)12-6-8-13(9-7-12)15-10-5-11-16-4/h12-13,15H,5-11H2,1-4H3
InChIKeyLXMGPWOOWGYLKO-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755681
methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate
CID 60782440
5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
CID 107302888
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine
CID 62725035
N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine
CID 8024756
methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate
CID 43139776
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848
cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 28673271
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
(4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium
CID 7014294

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine (CID 2846375) is 4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine is COCCCNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine?
The InChIKey is LXMGPWOOWGYLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-14(2,3)12-6-8-13(9-7-12)15-10-5-11-16-4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine?
4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine is sourced from PubChem (CID 2846375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).