(Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine

C17H26N2 — CID 130369980

IUPAC(Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine
SMILESC/C=C(\N=C(/C)CC)C(Cc1ccc(C)cc1)NC
InChIInChI=1S/C17H26N2/c1-6-14(4)19-16(7-2)17(18-5)12-15-10-8-13(3)9-11-15/h7-11,17-18H,6,12H2,1-5H3/b16-7-,19-14+
InChIKeySRWBBXPRKBARKQ-DJWAGKJNSA-N
MW258.41 g/mol
LogP3.90
Rot. Bonds6

About (Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine

(Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine (PubChem CID 130369980) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine.

Molecular Properties

Compound Name(Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine
PubChem CID130369980
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine
SMILESC/C=C(\N=C(/C)CC)C(Cc1ccc(C)cc1)NC
InChIInChI=1S/C17H26N2/c1-6-14(4)19-16(7-2)17(18-5)12-15-10-8-13(3)9-11-15/h7-11,17-18H,6,12H2,1-5H3/b16-7-,19-14+
InChIKeySRWBBXPRKBARKQ-DJWAGKJNSA-N
XLogP3.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(methylamino)-4-(4-methylphenyl)butan-2-one
CID 58858482
2-(methylamino)-3-(4-methylphenyl)propanamide
CID 59568547
4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene
CID 177337269
2-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 83529884
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
(3S)-3-(methylamino)-4-[4-[(E)-prop-1-enyl]phenyl]butan-2-one
CID 58904378
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
(4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one
CID 170393708
2-acetamido-3-(4-methylphenyl)propanoic acid
CID 4528620
methyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate
CID 134397352
N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine
CID 63561742
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine?
The IUPAC name of (Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine (CID 130369980) is (Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine.
What is the SMILES notation for (Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine?
The canonical SMILES for (Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine is C/C=C(\N=C(/C)CC)C(Cc1ccc(C)cc1)NC.
What is the InChIKey of (Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine?
The InChIKey is SRWBBXPRKBARKQ-DJWAGKJNSA-N. The full InChI is InChI=1S/C17H26N2/c1-6-14(4)19-16(7-2)17(18-5)12-15-10-8-13(3)9-11-15/h7-11,17-18H,6,12H2,1-5H3/b16-7-,19-14+.
What are the key properties of (Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine?
(Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine has a molecular weight of 258.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(butan-2-ylideneamino)-N-methyl-1-(4-methylphenyl)pent-3-en-2-amine is sourced from PubChem (CID 130369980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).