N-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol

C22H35NO — CID 144956484

IUPACN-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol
SMILESC=C/N=C/CC.CCC1C(Cc2ccc(C)cc2)CCC1(C)CO
InChIInChI=1S/C17H26O.C5H9N/c1-4-16-15(9-10-17(16,3)12-18)11-14-7-5-13(2)6-8-14;1-3-5-6-4-2/h5-8,15-16,18H,4,9-12H2,1-3H3;4-5H,2-3H2,1H3/b;6-5+
InChIKeySUKVJOUVOSTIFQ-MXDQRGINSA-N
MW329.53 g/mol
LogP5.58
Rot. Bonds6

About N-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol

N-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol (PubChem CID 144956484) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is N-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol.

Molecular Properties

Compound NameN-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol
PubChem CID144956484
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC NameN-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol
SMILESC=C/N=C/CC.CCC1C(Cc2ccc(C)cc2)CCC1(C)CO
InChIInChI=1S/C17H26O.C5H9N/c1-4-16-15(9-10-17(16,3)12-18)11-14-7-5-13(2)6-8-14;1-3-5-6-4-2/h5-8,15-16,18H,4,9-12H2,1-3H3;4-5H,2-3H2,1H3/b;6-5+
InChIKeySUKVJOUVOSTIFQ-MXDQRGINSA-N
XLogP5.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol?
The IUPAC name of N-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol (CID 144956484) is N-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol.
What is the SMILES notation for N-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol?
The canonical SMILES for N-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol is C=C/N=C/CC.CCC1C(Cc2ccc(C)cc2)CCC1(C)CO.
What is the InChIKey of N-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol?
The InChIKey is SUKVJOUVOSTIFQ-MXDQRGINSA-N. The full InChI is InChI=1S/C17H26O.C5H9N/c1-4-16-15(9-10-17(16,3)12-18)11-14-7-5-13(2)6-8-14;1-3-5-6-4-2/h5-8,15-16,18H,4,9-12H2,1-3H3;4-5H,2-3H2,1H3/b;6-5+.
What are the key properties of N-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol?
N-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol has a molecular weight of 329.53 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylpropan-1-imine;[2-ethyl-1-methyl-3-[(4-methylphenyl)methyl]cyclopentyl]methanol is sourced from PubChem (CID 144956484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).