N,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine

C9H18N2 — CID 91367445

IUPACN,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine
SMILESC=C(C=CC)N(C)CCNC
InChIInChI=1S/C9H18N2/c1-5-6-9(2)11(4)8-7-10-3/h5-6,10H,2,7-8H2,1,3-4H3
InChIKeyJFRPCYUNOASMFL-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.23
Rot. Bonds5

About N,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine

N,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine (PubChem CID 91367445) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine
PubChem CID91367445
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine
SMILESC=C(C=CC)N(C)CCNC
InChIInChI=1S/C9H18N2/c1-5-6-9(2)11(4)8-7-10-3/h5-6,10H,2,7-8H2,1,3-4H3
InChIKeyJFRPCYUNOASMFL-UHFFFAOYSA-N
XLogP1.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine (CID 91367445) is N,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine is C=C(C=CC)N(C)CCNC.
What is the InChIKey of N,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine?
The InChIKey is JFRPCYUNOASMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-6-9(2)11(4)8-7-10-3/h5-6,10H,2,7-8H2,1,3-4H3.
What are the key properties of N,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine?
N,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-penta-1,3-dien-2-ylethane-1,2-diamine is sourced from PubChem (CID 91367445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).