(Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine

C23H38N2 — CID 134553744

IUPAC(Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine
SMILESC=NN(/C(=C\C)CCCCCCCC)C(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H38N2/c1-7-9-10-11-12-16-19-21(8-2)25(24-6)22(23(3,4)5)20-17-14-13-15-18-20/h8,13-15,17-18,22H,6-7,9-12,16,19H2,1-5H3/b21-8-
InChIKeySMWJUSMUXCUYMT-WNFQYIGGSA-N
MW342.57 g/mol
LogP7.35
Rot. Bonds11

About (Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine

(Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine (PubChem CID 134553744) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is (Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine.

Molecular Properties

Compound Name(Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine
PubChem CID134553744
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name(Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine
SMILESC=NN(/C(=C\C)CCCCCCCC)C(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H38N2/c1-7-9-10-11-12-16-19-21(8-2)25(24-6)22(23(3,4)5)20-17-14-13-15-18-20/h8,13-15,17-18,22H,6-7,9-12,16,19H2,1-5H3/b21-8-
InChIKeySMWJUSMUXCUYMT-WNFQYIGGSA-N
XLogP7.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tridecoxyprop-2-enylbenzene
CID 139672746
1-nonadecoxyprop-2-enylbenzene
CID 139672742
2,3-didodecyl-1-phenylpentadec-2-en-1-amine
CID 18692902
(Z)-3-iodo-1-phenylnon-2-en-1-ol
CID 102087463
3-methylidene-1-phenylnonan-1-ol
CID 102449396
icos-2-en-3-yloxybenzene
CID 151595117
cumene;octanoic acid
CID 174815768
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
(1R)-1-phenyloctan-1-ol
CID 12794259
N'-tert-butyl-N'-decanoylbenzohydrazide
CID 67921881
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide
CID 54856883
N'-tert-butyl-N'-undecanoylbenzohydrazide
CID 67922028

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine?
The IUPAC name of (Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine (CID 134553744) is (Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine.
What is the SMILES notation for (Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine?
The canonical SMILES for (Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine is C=NN(/C(=C\C)CCCCCCCC)C(c1ccccc1)C(C)(C)C.
What is the InChIKey of (Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine?
The InChIKey is SMWJUSMUXCUYMT-WNFQYIGGSA-N. The full InChI is InChI=1S/C23H38N2/c1-7-9-10-11-12-16-19-21(8-2)25(24-6)22(23(3,4)5)20-17-14-13-15-18-20/h8,13-15,17-18,22H,6-7,9-12,16,19H2,1-5H3/b21-8-.
What are the key properties of (Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine?
(Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine has a molecular weight of 342.57 g/mol, XLogP of 7.35, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,2-dimethyl-1-phenylpropyl)-N-(methylideneamino)undec-2-en-3-amine is sourced from PubChem (CID 134553744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).