N-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene

C30H46N2 — CID 143544475

IUPACN-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene
SMILESC/C=C\c1c(C)cccc1CC1(N)CCCCC1.C=CC.CCNCc1ccccc1C
InChIInChI=1S/C17H25N.C10H15N.C3H6/c1-3-8-16-14(2)9-7-10-15(16)13-17(18)11-5-4-6-12-17;1-3-11-8-10-7-5-4-6-9(10)2;1-3-2/h3,7-10H,4-6,11-13,18H2,1-2H3;4-7,11H,3,8H2,1-2H3;3H,1H2,2H3/b8-3-;;
InChIKeyCLBLPNAXOIJTHV-AFLHAROQSA-N
MW434.71 g/mol
LogP7.53
Rot. Bonds6

About N-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene

N-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene (PubChem CID 143544475) has the molecular formula C30H46N2 and a molecular weight of 434.71 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene
PubChem CID143544475
Molecular FormulaC30H46N2
Molecular Weight434.71 g/mol
Exact Mass434.37
IUPAC NameN-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene
SMILESC/C=C\c1c(C)cccc1CC1(N)CCCCC1.C=CC.CCNCc1ccccc1C
InChIInChI=1S/C17H25N.C10H15N.C3H6/c1-3-8-16-14(2)9-7-10-15(16)13-17(18)11-5-4-6-12-17;1-3-11-8-10-7-5-4-6-9(10)2;1-3-2/h3,7-10H,4-6,11-13,18H2,1-2H3;4-7,11H,3,8H2,1-2H3;3H,1H2,2H3/b8-3-;;
InChIKeyCLBLPNAXOIJTHV-AFLHAROQSA-N
XLogP7.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.71
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene?
The IUPAC name of N-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene (CID 143544475) is N-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene.
What is the SMILES notation for N-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene?
The canonical SMILES for N-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene is C/C=C\c1c(C)cccc1CC1(N)CCCCC1.C=CC.CCNCc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene?
The InChIKey is CLBLPNAXOIJTHV-AFLHAROQSA-N. The full InChI is InChI=1S/C17H25N.C10H15N.C3H6/c1-3-8-16-14(2)9-7-10-15(16)13-17(18)11-5-4-6-12-17;1-3-11-8-10-7-5-4-6-9(10)2;1-3-2/h3,7-10H,4-6,11-13,18H2,1-2H3;4-7,11H,3,8H2,1-2H3;3H,1H2,2H3/b8-3-;;.
What are the key properties of N-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene?
N-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene has a molecular weight of 434.71 g/mol, XLogP of 7.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]ethanamine;1-[[3-methyl-2-[(Z)-prop-1-enyl]phenyl]methyl]cyclohexan-1-amine;prop-1-ene is sourced from PubChem (CID 143544475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).