N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine

C12H24N2 — CID 106211426

IUPACN',N'-diethyl-N-hex-5-ynylethane-1,2-diamine
SMILESC#CCCCCNCCN(CC)CC
InChIInChI=1S/C12H24N2/c1-4-7-8-9-10-13-11-12-14(5-2)6-3/h1,13H,5-12H2,2-3H3
InChIKeyGAQKQGBSJDFOQQ-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.72
Rot. Bonds9

About N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine

N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine (PubChem CID 106211426) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-hex-5-ynylethane-1,2-diamine
PubChem CID106211426
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN',N'-diethyl-N-hex-5-ynylethane-1,2-diamine
SMILESC#CCCCCNCCN(CC)CC
InChIInChI=1S/C12H24N2/c1-4-7-8-9-10-13-11-12-14(5-2)6-3/h1,13H,5-12H2,2-3H3
InChIKeyGAQKQGBSJDFOQQ-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.72
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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Related Compounds

N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N-(6-bromohexyl)-N',N'-diethylethane-1,2-diamine
CID 107914108
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine
CID 102996136
4-(hex-5-ynylamino)butan-1-ol
CID 106211716
N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 28615454
N-ethylpent-4-yn-1-amine
CID 12615597
N-decyl-N',N'-diethyloctane-1,8-diamine
CID 54513384
3-(hex-5-ynylamino)propanenitrile
CID 106211843
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
3-(hex-5-ynylamino)-N,N-dimethylpropanamide
CID 106211989

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine (CID 106211426) is N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine is C#CCCCCNCCN(CC)CC.
What is the InChIKey of N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine?
The InChIKey is GAQKQGBSJDFOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-7-8-9-10-13-11-12-14(5-2)6-3/h1,13H,5-12H2,2-3H3.
What are the key properties of N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine?
N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine is sourced from PubChem (CID 106211426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).