2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine

C13H25N — CID 143490405

IUPAC2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine
SMILESC=C(C)C.C=C(C)NC1CCCCC1
InChIInChI=1S/C9H17N.C4H8/c1-8(2)10-9-6-4-3-5-7-9;1-4(2)3/h9-10H,1,3-7H2,2H3;1H2,2-3H3
InChIKeyGTRNYLBNAIMVLI-UHFFFAOYSA-N
MW195.35 g/mol
LogP4.02
Rot. Bonds2

About 2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine

2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine (PubChem CID 143490405) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine.

Molecular Properties

Compound Name2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine
PubChem CID143490405
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine
SMILESC=C(C)C.C=C(C)NC1CCCCC1
InChIInChI=1S/C9H17N.C4H8/c1-8(2)10-9-6-4-3-5-7-9;1-4(2)3/h9-10H,1,3-7H2,2H3;1H2,2-3H3
InChIKeyGTRNYLBNAIMVLI-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine
CID 143541445
N-prop-1-en-2-ylcyclobutanamine
CID 143509764
1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine
CID 89294364
N-cyclododecyl-2-methylprop-2-enamide
CID 66733963
N-prop-1-en-2-ylcyclohept-4-en-1-amine
CID 135292572
1-cyclopentyl-3-prop-1-en-2-ylurea
CID 67565838
N-buta-2,3-dien-2-ylcyclohexanamine
CID 176535461
N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid
CID 175055430
N-cyclohexylethanethioamide;ethane
CID 142134846
N-cyclohexyl-2-oxopropanamide
CID 12861109
N'-[1-(cyclopentylamino)ethenyl]ethanimidamide
CID 163607178
N-(4-cyclooctylcycloheptyl)acetamide
CID 170008813

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine?
The IUPAC name of 2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine (CID 143490405) is 2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine.
What is the SMILES notation for 2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine?
The canonical SMILES for 2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine is C=C(C)C.C=C(C)NC1CCCCC1.
What is the InChIKey of 2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine?
The InChIKey is GTRNYLBNAIMVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C4H8/c1-8(2)10-9-6-4-3-5-7-9;1-4(2)3/h9-10H,1,3-7H2,2H3;1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine?
2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine has a molecular weight of 195.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine is sourced from PubChem (CID 143490405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).