cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine

C14H29NO — CID 28673271

IUPACcis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
SMILESCOCCCN[C@@H]1CCCC[C@@H]1C(C)(C)C
InChIInChI=1S/C14H29NO/c1-14(2,3)12-8-5-6-9-13(12)15-10-7-11-16-4/h12-13,15H,5-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyAYDTWUUWGLTJAT-QWHCGFSZSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds5

About cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine

cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine (PubChem CID 28673271) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
PubChem CID28673271
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Namecis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
SMILESCOCCCN[C@@H]1CCCC[C@@H]1C(C)(C)C
InChIInChI=1S/C14H29NO/c1-14(2,3)12-8-5-6-9-13(12)15-10-7-11-16-4/h12-13,15H,5-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyAYDTWUUWGLTJAT-QWHCGFSZSA-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

2-tert-butyl-N-octylcyclohexan-1-amine
CID 60663873
2-[(2-tert-butylcyclohexyl)amino]ethanol
CID 43085233
5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol
CID 107270228
2-tert-butyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 115728691
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol
CID 131701462
2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 113261091
2-(chloromethyl)-N-(3-methoxypropyl)cyclopentan-1-amine
CID 106364907
N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64759706
2-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 43079272
cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923239
trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923238

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine (CID 28673271) is cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine is COCCCN[C@@H]1CCCC[C@@H]1C(C)(C)C.
What is the InChIKey of cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine?
The InChIKey is AYDTWUUWGLTJAT-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H29NO/c1-14(2,3)12-8-5-6-9-13(12)15-10-7-11-16-4/h12-13,15H,5-11H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine?
cis-(1R,2R)-2-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 cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine is sourced from PubChem (CID 28673271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).