(2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine

C16H24N2 — CID 154979175

IUPAC(2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine
SMILESC=CC(=C)[C@H](C)NC(=C)/C=N/C=C(C)/C(C)=C/C
InChIInChI=1S/C16H24N2/c1-8-12(3)14(5)10-17-11-15(6)18-16(7)13(4)9-2/h8-11,16,18H,2,4,6H2,1,3,5,7H3/b12-8+,14-10+,17-11+/t16-/m0/s1
InChIKeyYDEUIECLFQEAQO-AMKHQMLDSA-N
MW244.38 g/mol
LogP4.16
Rot. Bonds7

About (2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine

(2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine (PubChem CID 154979175) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine.

Molecular Properties

Compound Name(2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine
PubChem CID154979175
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine
SMILESC=CC(=C)[C@H](C)NC(=C)/C=N/C=C(C)/C(C)=C/C
InChIInChI=1S/C16H24N2/c1-8-12(3)14(5)10-17-11-15(6)18-16(7)13(4)9-2/h8-11,16,18H,2,4,6H2,1,3,5,7H3/b12-8+,14-10+,17-11+/t16-/m0/s1
InChIKeyYDEUIECLFQEAQO-AMKHQMLDSA-N
XLogP4.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine?
The IUPAC name of (2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine (CID 154979175) is (2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine.
What is the SMILES notation for (2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine?
The canonical SMILES for (2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine is C=CC(=C)[C@H](C)NC(=C)/C=N/C=C(C)/C(C)=C/C.
What is the InChIKey of (2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine?
The InChIKey is YDEUIECLFQEAQO-AMKHQMLDSA-N. The full InChI is InChI=1S/C16H24N2/c1-8-12(3)14(5)10-17-11-15(6)18-16(7)13(4)9-2/h8-11,16,18H,2,4,6H2,1,3,5,7H3/b12-8+,14-10+,17-11+/t16-/m0/s1.
What are the key properties of (2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine?
(2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine has a molecular weight of 244.38 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine is sourced from PubChem (CID 154979175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).