1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine

C11H22N2 — CID 83054722

IUPAC1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine
SMILESC#CCN(C)C(CCC)CNCC
InChIInChI=1S/C11H22N2/c1-5-8-11(10-12-7-3)13(4)9-6-2/h2,11-12H,5,7-10H2,1,3-4H3
InChIKeyMDOPAJXAAHWCJU-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.33
Rot. Bonds7

About 1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine

1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine (PubChem CID 83054722) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine
PubChem CID83054722
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine
SMILESC#CCN(C)C(CCC)CNCC
InChIInChI=1S/C11H22N2/c1-5-8-11(10-12-7-3)13(4)9-6-2/h2,11-12H,5,7-10H2,1,3-4H3
InChIKeyMDOPAJXAAHWCJU-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine
CID 105418038
1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine
CID 112665676
1-N,2-N,2-N-triethylpentane-1,2-diamine
CID 83043312
1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine
CID 83054902
1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine
CID 162382785
1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine
CID 62432362
2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83043720
1-N-ethyl-2-N-[(2-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054110
1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 83054107
2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83054723
2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine
CID 83053921
2-N,2-N-bis(2-ethoxyethyl)-1-N-ethylpentane-1,2-diamine
CID 83046420

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine (CID 83054722) is 1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine is C#CCN(C)C(CCC)CNCC.
What is the InChIKey of 1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine?
The InChIKey is MDOPAJXAAHWCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-8-11(10-12-7-3)13(4)9-6-2/h2,11-12H,5,7-10H2,1,3-4H3.
What are the key properties of 1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine?
1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine is sourced from PubChem (CID 83054722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).