N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine

C11H22N2 — CID 62560910

IUPACN'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(CC)C(C)CC
InChIInChI=1S/C11H22N2/c1-5-8-12-9-10-13(7-3)11(4)6-2/h1,11-12H,6-10H2,2-4H3
InChIKeyCPSVKDBLMAFRFO-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.33
Rot. Bonds7

About N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine

N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine (PubChem CID 62560910) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine
PubChem CID62560910
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(CC)C(C)CC
InChIInChI=1S/C11H22N2/c1-5-8-12-9-10-13(7-3)11(4)6-2/h1,11-12H,6-10H2,2-4H3
InChIKeyCPSVKDBLMAFRFO-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': '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 N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine (CID 62560910) is N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine is C#CCNCCN(CC)C(C)CC.
What is the InChIKey of N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is CPSVKDBLMAFRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-8-12-9-10-13(7-3)11(4)6-2/h1,11-12H,6-10H2,2-4H3.
What are the key properties of N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine?
N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-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 N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 62560910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).