4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine

C12H26N2 — CID 134546937

IUPAC4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine
SMILESC=C(C)CCC(N)NCC(C)CCC
InChIInChI=1S/C12H26N2/c1-5-6-11(4)9-14-12(13)8-7-10(2)3/h11-12,14H,2,5-9,13H2,1,3-4H3
InChIKeyRHZDSSAYUPZOEA-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.65
Rot. Bonds8

About 4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine

4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine (PubChem CID 134546937) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine.

Molecular Properties

Compound Name4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine
PubChem CID134546937
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine
SMILESC=C(C)CCC(N)NCC(C)CCC
InChIInChI=1S/C12H26N2/c1-5-6-11(4)9-14-12(13)8-7-10(2)3/h11-12,14H,2,5-9,13H2,1,3-4H3
InChIKeyRHZDSSAYUPZOEA-UHFFFAOYSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine?
The IUPAC name of 4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine (CID 134546937) is 4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine.
What is the SMILES notation for 4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine?
The canonical SMILES for 4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine is C=C(C)CCC(N)NCC(C)CCC.
What is the InChIKey of 4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine?
The InChIKey is RHZDSSAYUPZOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-6-11(4)9-14-12(13)8-7-10(2)3/h11-12,14H,2,5-9,13H2,1,3-4H3.
What are the key properties of 4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine?
4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N'-(2-methylpentyl)pent-4-ene-1,1-diamine is sourced from PubChem (CID 134546937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).