2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine

C13H26N2 — CID 62569961

IUPAC2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
SMILESC#CCNCC(C)N(C)C(C)C(C)(C)C
InChIInChI=1S/C13H26N2/c1-8-9-14-10-11(2)15(7)12(3)13(4,5)6/h1,11-12,14H,9-10H2,2-7H3
InChIKeyRTFHLYKYNBMCCC-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.96
Rot. Bonds5

About 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine

2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine (PubChem CID 62569961) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
PubChem CID62569961
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
SMILESC#CCNCC(C)N(C)C(C)C(C)(C)C
InChIInChI=1S/C13H26N2/c1-8-9-14-10-11(2)15(7)12(3)13(4,5)6/h1,11-12,14H,9-10H2,2-7H3
InChIKeyRTFHLYKYNBMCCC-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
The IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine (CID 62569961) is 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine is C#CCNCC(C)N(C)C(C)C(C)(C)C.
What is the InChIKey of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
The InChIKey is RTFHLYKYNBMCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-8-9-14-10-11(2)15(7)12(3)13(4,5)6/h1,11-12,14H,9-10H2,2-7H3.
What are the key properties of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine is sourced from PubChem (CID 62569961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).