N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine

C12H19N — CID 130481453

IUPACN-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine
SMILESC#CC(NC1C=CCCC1)C(C)C
InChIInChI=1S/C12H19N/c1-4-12(10(2)3)13-11-8-6-5-7-9-11/h1,6,8,10-13H,5,7,9H2,2-3H3
InChIKeyLUAXYNUUHCPROO-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.34
Rot. Bonds3

About N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine

N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine (PubChem CID 130481453) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine
PubChem CID130481453
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine
SMILESC#CC(NC1C=CCCC1)C(C)C
InChIInChI=1S/C12H19N/c1-4-12(10(2)3)13-11-8-6-5-7-9-11/h1,6,8,10-13H,5,7,9H2,2-3H3
InChIKeyLUAXYNUUHCPROO-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclobutylethyl)cyclohex-2-en-1-amine
CID 103903529
2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide
CID 103914307
2-(cyclohex-2-en-1-ylamino)-N-ethyl-N-methylpropanamide
CID 107908317
2-(cyclohex-2-en-1-ylamino)propane-1,3-diol
CID 107907132
N-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 104531391
5-(cyclohex-2-en-1-ylamino)pentan-2-ol
CID 106131433
(2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride
CID 130677946
4-(4-methylpent-1-yn-3-ylamino)cyclohexan-1-ol
CID 130481330
N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 114202020
5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile
CID 115903686
methyl 1-[3-(cyclohex-2-en-1-ylamino)butanoyl]piperidine-4-carboxylate
CID 75502666

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine?
The IUPAC name of N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine (CID 130481453) is N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine is C#CC(NC1C=CCCC1)C(C)C.
What is the InChIKey of N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine?
The InChIKey is LUAXYNUUHCPROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-12(10(2)3)13-11-8-6-5-7-9-11/h1,6,8,10-13H,5,7,9H2,2-3H3.
What are the key properties of N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine?
N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 130481453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).