(3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine

C10H18N2 — CID 123420725

IUPAC(3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine
SMILES[H]/N=C(C)/C=C\C(=C)N(C)C(C)C
InChIInChI=1S/C10H18N2/c1-8(2)12(5)10(4)7-6-9(3)11/h6-8,11H,4H2,1-3,5H3/b7-6-,11-9+
InChIKeyKOKBQUYHGAPPBA-SXWITGCCSA-N
MW166.27 g/mol
LogP2.44
Rot. Bonds4

About (3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine

(3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine (PubChem CID 123420725) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine
PubChem CID123420725
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine
SMILES[H]/N=C(C)/C=C\C(=C)N(C)C(C)C
InChIInChI=1S/C10H18N2/c1-8(2)12(5)10(4)7-6-9(3)11/h6-8,11H,4H2,1-3,5H3/b7-6-,11-9+
InChIKeyKOKBQUYHGAPPBA-SXWITGCCSA-N
XLogP2.44
TPSA27.09 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 ≤ 52.44
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 (3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine?
The IUPAC name of (3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine (CID 123420725) is (3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine?
The canonical SMILES for (3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine is [H]/N=C(C)/C=C\C(=C)N(C)C(C)C.
What is the InChIKey of (3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine?
The InChIKey is KOKBQUYHGAPPBA-SXWITGCCSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)12(5)10(4)7-6-9(3)11/h6-8,11H,4H2,1-3,5H3/b7-6-,11-9+.
What are the key properties of (3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine?
(3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine has a molecular weight of 166.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine is sourced from PubChem (CID 123420725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).