N,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine

C11H20N2 — CID 58611576

IUPACN,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine
SMILESCC(C)=CC=CCN(C)N=C(C)C
InChIInChI=1S/C11H20N2/c1-10(2)8-6-7-9-13(5)12-11(3)4/h6-8H,9H2,1-5H3
InChIKeyAKBGZTYOUIIZLC-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.84
Rot. Bonds4

About N,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine

N,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine (PubChem CID 58611576) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine
PubChem CID58611576
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine
SMILESCC(C)=CC=CCN(C)N=C(C)C
InChIInChI=1S/C11H20N2/c1-10(2)8-6-7-9-13(5)12-11(3)4/h6-8H,9H2,1-5H3
InChIKeyAKBGZTYOUIIZLC-UHFFFAOYSA-N
XLogP2.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine?
The IUPAC name of N,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine (CID 58611576) is N,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine.
What is the SMILES notation for N,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine?
The canonical SMILES for N,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine is CC(C)=CC=CCN(C)N=C(C)C.
What is the InChIKey of N,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine?
The InChIKey is AKBGZTYOUIIZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)8-6-7-9-13(5)12-11(3)4/h6-8H,9H2,1-5H3.
What are the key properties of N,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine?
N,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(propan-2-ylideneamino)hexa-2,4-dien-1-amine is sourced from PubChem (CID 58611576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).