4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine

C13H25N — CID 142268186

IUPAC4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine
SMILESC=C(CCC1CCCCC1)NC(C)C
InChIInChI=1S/C13H25N/c1-11(2)14-12(3)9-10-13-7-5-4-6-8-13/h11,13-14H,3-10H2,1-2H3
InChIKeyZKHXXMREFFKQNC-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.86
Rot. Bonds5

About 4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine

4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine (PubChem CID 142268186) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine
PubChem CID142268186
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine
SMILESC=C(CCC1CCCCC1)NC(C)C
InChIInChI=1S/C13H25N/c1-11(2)14-12(3)9-10-13-7-5-4-6-8-13/h11,13-14H,3-10H2,1-2H3
InChIKeyZKHXXMREFFKQNC-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-cyclohexylbut-1-en-2-ylamino) thiohypoiodite
CID 144908624
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3-cyclohexyl-N,N-di(propan-2-yl)propanamide
CID 4560477
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
methyl 5-cyclohexyl-2-methyl-3-oxopentanoate
CID 139977687
1-cyclohexyl-4-methylhexan-3-one
CID 115787943
N-(2-cyclohexylethyl)prop-1-en-2-amine
CID 143355441
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide
CID 114305958
1-cyclohexyl-6-methylhept-6-en-3-ol
CID 115834468
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
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CID 101427944

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine?
The IUPAC name of 4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine (CID 142268186) is 4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine.
What is the SMILES notation for 4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine?
The canonical SMILES for 4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine is C=C(CCC1CCCCC1)NC(C)C.
What is the InChIKey of 4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine?
The InChIKey is ZKHXXMREFFKQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-11(2)14-12(3)9-10-13-7-5-4-6-8-13/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine?
4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-propan-2-ylbut-1-en-2-amine is sourced from PubChem (CID 142268186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).