methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine

C21H41N — CID 143541445

IUPACmethylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine
SMILESC=C(C)C.C=C(C)NC1CCCCCC1.CC1CCCCC1
InChIInChI=1S/C10H19N.C7H14.C4H8/c1-9(2)11-10-7-5-3-4-6-8-10;1-7-5-3-2-4-6-7;1-4(2)3/h10-11H,1,3-8H2,2H3;7H,2-6H2,1H3;1H2,2-3H3
InChIKeyUGXRBMRSIILORI-UHFFFAOYSA-N
MW307.57 g/mol
LogP7.00
Rot. Bonds2

About methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine

methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine (PubChem CID 143541445) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine.

Molecular Properties

Compound Namemethylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine
PubChem CID143541445
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC Namemethylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine
SMILESC=C(C)C.C=C(C)NC1CCCCCC1.CC1CCCCC1
InChIInChI=1S/C10H19N.C7H14.C4H8/c1-9(2)11-10-7-5-3-4-6-8-10;1-7-5-3-2-4-6-7;1-4(2)3/h10-11H,1,3-8H2,2H3;7H,2-6H2,1H3;1H2,2-3H3
InChIKeyUGXRBMRSIILORI-UHFFFAOYSA-N
XLogP7.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 57.00
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

2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine
CID 143490405
N-prop-1-en-2-ylcyclobutanamine
CID 143509764
methanol;methylcyclopentane;prop-1-en-2-ol
CID 142006144
1-N-methyl-4-N-prop-1-en-2-ylcyclohexane-1,4-diamine
CID 89294364
N-cyclododecyl-2-methylprop-2-enamide
CID 66733963
cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
N-prop-1-en-2-ylcyclohept-4-en-1-amine
CID 135292572
1-cyclopentyl-3-prop-1-en-2-ylurea
CID 67565838
1-cyclodecyl-6-methylcycloundecane
CID 123480440
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
N-buta-2,3-dien-2-ylcyclohexanamine
CID 176535461

Frequently Asked Questions

What is the IUPAC name of methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine?
The IUPAC name of methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine (CID 143541445) is methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine.
What is the SMILES notation for methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine?
The canonical SMILES for methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine is C=C(C)C.C=C(C)NC1CCCCCC1.CC1CCCCC1.
What is the InChIKey of methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine?
The InChIKey is UGXRBMRSIILORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C7H14.C4H8/c1-9(2)11-10-7-5-3-4-6-8-10;1-7-5-3-2-4-6-7;1-4(2)3/h10-11H,1,3-8H2,2H3;7H,2-6H2,1H3;1H2,2-3H3.
What are the key properties of methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine?
methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine has a molecular weight of 307.57 g/mol, XLogP of 7.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine is sourced from PubChem (CID 143541445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).