1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine

C10H22N2 — CID 79179301

IUPAC1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine
SMILESC=C(C)C(N)CCN(CC)CC
InChIInChI=1S/C10H22N2/c1-5-12(6-2)8-7-10(11)9(3)4/h10H,3,5-8,11H2,1-2,4H3
InChIKeyQKRKKGXXSKGTOW-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.62
Rot. Bonds6

About 1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine

1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine (PubChem CID 79179301) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine
PubChem CID79179301
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine
SMILESC=C(C)C(N)CCN(CC)CC
InChIInChI=1S/C10H22N2/c1-5-12(6-2)8-7-10(11)9(3)4/h10H,3,5-8,11H2,1-2,4H3
InChIKeyQKRKKGXXSKGTOW-UHFFFAOYSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine (CID 79179301) is 1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine is C=C(C)C(N)CCN(CC)CC.
What is the InChIKey of 1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine?
The InChIKey is QKRKKGXXSKGTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-12(6-2)8-7-10(11)9(3)4/h10H,3,5-8,11H2,1-2,4H3.
What are the key properties of 1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine?
1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-methylpent-4-ene-1,3-diamine is sourced from PubChem (CID 79179301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).