2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine

C9H18N2 — CID 65381584

IUPAC2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine
SMILESC#CCNC(C)(CN)C(C)C
InChIInChI=1S/C9H18N2/c1-5-6-11-9(4,7-10)8(2)3/h1,8,11H,6-7,10H2,2-4H3
InChIKeyXJIDSTZHUYYYSQ-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.58
Rot. Bonds4

About 2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine

2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine (PubChem CID 65381584) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine.

Molecular Properties

Compound Name2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine
PubChem CID65381584
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine
SMILESC#CCNC(C)(CN)C(C)C
InChIInChI=1S/C9H18N2/c1-5-6-11-9(4,7-10)8(2)3/h1,8,11H,6-7,10H2,2-4H3
InChIKeyXJIDSTZHUYYYSQ-UHFFFAOYSA-N
XLogP0.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.58
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 2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine?
The IUPAC name of 2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine (CID 65381584) is 2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine.
What is the SMILES notation for 2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine?
The canonical SMILES for 2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine is C#CCNC(C)(CN)C(C)C.
What is the InChIKey of 2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine?
The InChIKey is XJIDSTZHUYYYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-6-11-9(4,7-10)8(2)3/h1,8,11H,6-7,10H2,2-4H3.
What are the key properties of 2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine?
2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine is sourced from PubChem (CID 65381584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).