(2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine

C17H30N2 — CID 163540229

IUPAC(2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine
SMILESC=CC/C=C/CCCC(=C)C[C@H](C)/N=C/[C@H](C)NC
InChIInChI=1S/C17H30N2/c1-6-7-8-9-10-11-12-15(2)13-16(3)19-14-17(4)18-5/h6,8-9,14,16-18H,1-2,7,10-13H2,3-5H3/b9-8+,19-14+/t16-,17-/m0/s1
InChIKeyFAMLGSIBNOAAAJ-AQYRVQIASA-N
MW262.44 g/mol
LogP4.30
Rot. Bonds11

About (2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine

(2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine (PubChem CID 163540229) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine
PubChem CID163540229
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine
SMILESC=CC/C=C/CCCC(=C)C[C@H](C)/N=C/[C@H](C)NC
InChIInChI=1S/C17H30N2/c1-6-7-8-9-10-11-12-15(2)13-16(3)19-14-17(4)18-5/h6,8-9,14,16-18H,1-2,7,10-13H2,3-5H3/b9-8+,19-14+/t16-,17-/m0/s1
InChIKeyFAMLGSIBNOAAAJ-AQYRVQIASA-N
XLogP4.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine with MolForge

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Related Compounds

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CID 67812025
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(Z)-N-(3-iminopropyl)octadec-9-en-1-amine
CID 88294319
(E)-N-[13-(nonylideneamino)tridecyl]octadec-9-en-1-amine
CID 118218045
N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine
CID 123147884
1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine
CID 123641838
7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine
CID 123758535
(7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine
CID 130374413
(4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine
CID 138528196
3-[(Z)-octadec-9-enyl]imino-N-propylpropan-1-amine
CID 140362361
(E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine
CID 142907377
4-[(9Z,28Z,31Z)-heptatriaconta-6,7,9,28,31-pentaen-19-yl]imino-N-methylbutan-1-amine
CID 155073352

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine?
The IUPAC name of (2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine (CID 163540229) is (2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine.
What is the SMILES notation for (2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine?
The canonical SMILES for (2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine is C=CC/C=C/CCCC(=C)C[C@H](C)/N=C/[C@H](C)NC.
What is the InChIKey of (2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine?
The InChIKey is FAMLGSIBNOAAAJ-AQYRVQIASA-N. The full InChI is InChI=1S/C17H30N2/c1-6-7-8-9-10-11-12-15(2)13-16(3)19-14-17(4)18-5/h6,8-9,14,16-18H,1-2,7,10-13H2,3-5H3/b9-8+,19-14+/t16-,17-/m0/s1.
What are the key properties of (2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine?
(2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine has a molecular weight of 262.44 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine is sourced from PubChem (CID 163540229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).