N-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine

C9H18N2 — CID 89317993

IUPACN-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine
SMILESC=C(C)/C=C(\C)NCCNC
InChIInChI=1S/C9H18N2/c1-8(2)7-9(3)11-6-5-10-4/h7,10-11H,1,5-6H2,2-4H3/b9-7+
InChIKeyFFEYEXOAAASOBR-VQHVLOKHSA-N
MW154.26 g/mol
LogP1.28
Rot. Bonds5

About N-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine

N-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine (PubChem CID 89317993) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine
PubChem CID89317993
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine
SMILESC=C(C)/C=C(\C)NCCNC
InChIInChI=1S/C9H18N2/c1-8(2)7-9(3)11-6-5-10-4/h7,10-11H,1,5-6H2,2-4H3/b9-7+
InChIKeyFFEYEXOAAASOBR-VQHVLOKHSA-N
XLogP1.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine (CID 89317993) is N-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine is C=C(C)/C=C(\C)NCCNC.
What is the InChIKey of N-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine?
The InChIKey is FFEYEXOAAASOBR-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)7-9(3)11-6-5-10-4/h7,10-11H,1,5-6H2,2-4H3/b9-7+.
What are the key properties of N-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine?
N-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 89317993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).