(2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine

C10H18N2 — CID 174365742

IUPAC(2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine
SMILESC=NC(N)/C(=C/C=C/C)C(C)C
InChIInChI=1S/C10H18N2/c1-5-6-7-9(8(2)3)10(11)12-4/h5-8,10H,4,11H2,1-3H3/b6-5+,9-7+
InChIKeyOMPFZPDGPXELBB-SBIWHPGTSA-N
MW166.27 g/mol
LogP2.13
Rot. Bonds4

About (2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine

(2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine (PubChem CID 174365742) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine
PubChem CID174365742
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine
SMILESC=NC(N)/C(=C/C=C/C)C(C)C
InChIInChI=1S/C10H18N2/c1-5-6-7-9(8(2)3)10(11)12-4/h5-8,10H,4,11H2,1-3H3/b6-5+,9-7+
InChIKeyOMPFZPDGPXELBB-SBIWHPGTSA-N
XLogP2.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.13
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 (2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine (CID 174365742) is (2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine is C=NC(N)/C(=C/C=C/C)C(C)C.
What is the InChIKey of (2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine?
The InChIKey is OMPFZPDGPXELBB-SBIWHPGTSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-6-7-9(8(2)3)10(11)12-4/h5-8,10H,4,11H2,1-3H3/b6-5+,9-7+.
What are the key properties of (2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine?
(2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine is sourced from PubChem (CID 174365742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).