2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine

C11H22N2 — CID 65382403

IUPAC2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine
SMILESC#CCNC(C)(CN)CCC(C)C
InChIInChI=1S/C11H22N2/c1-5-8-13-11(4,9-12)7-6-10(2)3/h1,10,13H,6-9,12H2,2-4H3
InChIKeyKXIKKRYPGDNSTC-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.36
Rot. Bonds6

About 2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine

2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine (PubChem CID 65382403) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine.

Molecular Properties

Compound Name2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine
PubChem CID65382403
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine
SMILESC#CCNC(C)(CN)CCC(C)C
InChIInChI=1S/C11H22N2/c1-5-8-13-11(4,9-12)7-6-10(2)3/h1,10,13H,6-9,12H2,2-4H3
InChIKeyKXIKKRYPGDNSTC-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine?
The IUPAC name of 2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine (CID 65382403) is 2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine.
What is the SMILES notation for 2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine?
The canonical SMILES for 2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine is C#CCNC(C)(CN)CCC(C)C.
What is the InChIKey of 2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine?
The InChIKey is KXIKKRYPGDNSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-8-13-11(4,9-12)7-6-10(2)3/h1,10,13H,6-9,12H2,2-4H3.
What are the key properties of 2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine?
2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine is sourced from PubChem (CID 65382403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).