2-tert-butylcyclohexan-1-amine;methane

C11H25N — CID 158774532

IUPAC2-tert-butylcyclohexan-1-amine;methane
SMILESC.CC(C)(C)C1CCCCC1N
InChIInChI=1S/C10H21N.CH4/c1-10(2,3)8-6-4-5-7-9(8)11;/h8-9H,4-7,11H2,1-3H3;1H4
InChIKeyIQHPWFYCIVJHQA-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.19
Rot. Bonds

About 2-tert-butylcyclohexan-1-amine;methane

2-tert-butylcyclohexan-1-amine;methane (PubChem CID 158774532) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2-tert-butylcyclohexan-1-amine;methane.

Molecular Properties

Compound Name2-tert-butylcyclohexan-1-amine;methane
PubChem CID158774532
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2-tert-butylcyclohexan-1-amine;methane
SMILESC.CC(C)(C)C1CCCCC1N
InChIInChI=1S/C10H21N.CH4/c1-10(2,3)8-6-4-5-7-9(8)11;/h8-9H,4-7,11H2,1-3H3;1H4
InChIKeyIQHPWFYCIVJHQA-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260
cis-(1R,2R)-2-tert-butylcyclohexan-1-ol
CID 6995536
(2-tert-butylcyclopentyl)methanamine
CID 81010669
trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride
CID 139022348
(2-tert-butylcyclohexyl)hydrazine
CID 18070389
[(1S,2S)-2-tert-butylcyclohexyl]azanium
CID 7740789
4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine
CID 19805682
(1S,2S,6R)-2-tert-butyl-6-fluorocyclohexan-1-amine
CID 125452002
(1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine
CID 125452009
1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 161041308
1-tert-butyl-2-propan-2-ylcyclohexane
CID 59820112
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylcyclohexan-1-amine;methane?
The IUPAC name of 2-tert-butylcyclohexan-1-amine;methane (CID 158774532) is 2-tert-butylcyclohexan-1-amine;methane.
What is the SMILES notation for 2-tert-butylcyclohexan-1-amine;methane?
The canonical SMILES for 2-tert-butylcyclohexan-1-amine;methane is C.CC(C)(C)C1CCCCC1N.
What is the InChIKey of 2-tert-butylcyclohexan-1-amine;methane?
The InChIKey is IQHPWFYCIVJHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.CH4/c1-10(2,3)8-6-4-5-7-9(8)11;/h8-9H,4-7,11H2,1-3H3;1H4.
What are the key properties of 2-tert-butylcyclohexan-1-amine;methane?
2-tert-butylcyclohexan-1-amine;methane has a molecular weight of 171.33 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylcyclohexan-1-amine;methane is sourced from PubChem (CID 158774532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).