(5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine

C12H22N2 — CID 138567456

IUPAC(5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine
SMILESC=C(C)C(CC(=C/C)/N=C/C)N(C)C
InChIInChI=1S/C12H22N2/c1-7-11(13-8-2)9-12(10(3)4)14(5)6/h7-8,12H,3,9H2,1-2,4-6H3/b11-7-,13-8+
InChIKeyLUGSSZBUBFMMKH-JKNYEHFOSA-N
MW194.32 g/mol
LogP2.88
Rot. Bonds5

About (5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine

(5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine (PubChem CID 138567456) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine.

Molecular Properties

Compound Name(5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine
PubChem CID138567456
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine
SMILESC=C(C)C(CC(=C/C)/N=C/C)N(C)C
InChIInChI=1S/C12H22N2/c1-7-11(13-8-2)9-12(10(3)4)14(5)6/h7-8,12H,3,9H2,1-2,4-6H3/b11-7-,13-8+
InChIKeyLUGSSZBUBFMMKH-JKNYEHFOSA-N
XLogP2.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine?
The IUPAC name of (5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine (CID 138567456) is (5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine.
What is the SMILES notation for (5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine?
The canonical SMILES for (5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine is C=C(C)C(CC(=C/C)/N=C/C)N(C)C.
What is the InChIKey of (5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine?
The InChIKey is LUGSSZBUBFMMKH-JKNYEHFOSA-N. The full InChI is InChI=1S/C12H22N2/c1-7-11(13-8-2)9-12(10(3)4)14(5)6/h7-8,12H,3,9H2,1-2,4-6H3/b11-7-,13-8+.
What are the key properties of (5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine?
(5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine has a molecular weight of 194.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine is sourced from PubChem (CID 138567456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).