1-butyl-2-tert-butylcyclohexan-1-amine

C14H29N — CID 63408346

IUPAC1-butyl-2-tert-butylcyclohexan-1-amine
SMILESCCCCC1(N)CCCCC1C(C)(C)C
InChIInChI=1S/C14H29N/c1-5-6-10-14(15)11-8-7-9-12(14)13(2,3)4/h12H,5-11,15H2,1-4H3
InChIKeyFDCMVAWGBWCOQA-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.11
Rot. Bonds3

About 1-butyl-2-tert-butylcyclohexan-1-amine

1-butyl-2-tert-butylcyclohexan-1-amine (PubChem CID 63408346) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-butyl-2-tert-butylcyclohexan-1-amine.

Molecular Properties

Compound Name1-butyl-2-tert-butylcyclohexan-1-amine
PubChem CID63408346
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-butyl-2-tert-butylcyclohexan-1-amine
SMILESCCCCC1(N)CCCCC1C(C)(C)C
InChIInChI=1S/C14H29N/c1-5-6-10-14(15)11-8-7-9-12(14)13(2,3)4/h12H,5-11,15H2,1-4H3
InChIKeyFDCMVAWGBWCOQA-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-1-propylcyclohexan-1-amine
CID 43809442
2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine
CID 82239429
1-butylcyclohexane-1,2-diamine;dihydrochloride
CID 174736992
1-butyl-2-cyclohexylcyclohexan-1-amine
CID 55187524
2-tert-butyl-1-pentylcyclohexan-1-ol
CID 65147794
2-(1-amino-2-tert-butylcyclohexyl)acetic acid
CID 64663875
2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 63408085
1-(2-butoxyethyl)-2-methylcyclohexan-1-amine
CID 115001863
2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824548
2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127480
2-tert-butyl-1-cycloheptylcyclohexan-1-amine
CID 82931284
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-tert-butylcyclohexan-1-amine?
The IUPAC name of 1-butyl-2-tert-butylcyclohexan-1-amine (CID 63408346) is 1-butyl-2-tert-butylcyclohexan-1-amine.
What is the SMILES notation for 1-butyl-2-tert-butylcyclohexan-1-amine?
The canonical SMILES for 1-butyl-2-tert-butylcyclohexan-1-amine is CCCCC1(N)CCCCC1C(C)(C)C.
What is the InChIKey of 1-butyl-2-tert-butylcyclohexan-1-amine?
The InChIKey is FDCMVAWGBWCOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-6-10-14(15)11-8-7-9-12(14)13(2,3)4/h12H,5-11,15H2,1-4H3.
What are the key properties of 1-butyl-2-tert-butylcyclohexan-1-amine?
1-butyl-2-tert-butylcyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-tert-butylcyclohexan-1-amine is sourced from PubChem (CID 63408346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).