1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine

C10H24N2 — CID 135177018

IUPAC1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine
SMILESCCC(C)C(C)C(C)NC(C)N
InChIInChI=1S/C10H24N2/c1-6-7(2)8(3)9(4)12-10(5)11/h7-10,12H,6,11H2,1-5H3
InChIKeyNQCWDTOGCROYBK-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.95
Rot. Bonds5

About 1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine

1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine (PubChem CID 135177018) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine
PubChem CID135177018
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine
SMILESCCC(C)C(C)C(C)NC(C)N
InChIInChI=1S/C10H24N2/c1-6-7(2)8(3)9(4)12-10(5)11/h7-10,12H,6,11H2,1-5H3
InChIKeyNQCWDTOGCROYBK-UHFFFAOYSA-N
XLogP1.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine (CID 135177018) is 1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine is CCC(C)C(C)C(C)NC(C)N.
What is the InChIKey of 1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine?
The InChIKey is NQCWDTOGCROYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-6-7(2)8(3)9(4)12-10(5)11/h7-10,12H,6,11H2,1-5H3.
What are the key properties of 1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine?
1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3,4-dimethylhexan-2-yl)ethane-1,1-diamine is sourced from PubChem (CID 135177018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).