N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine

C13H26N2 — CID 102996136

IUPACN'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine
SMILESC#CCCN(CC)CCCN(CC)CC
InChIInChI=1S/C13H26N2/c1-5-9-11-15(8-4)13-10-12-14(6-2)7-3/h1H,6-13H2,2-4H3
InChIKeyURQGXUTWALMUDT-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.06
Rot. Bonds9

About N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine

N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102996136) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102996136
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine
SMILESC#CCCN(CC)CCCN(CC)CC
InChIInChI=1S/C13H26N2/c1-5-9-11-15(8-4)13-10-12-14(6-2)7-3/h1H,6-13H2,2-4H3
InChIKeyURQGXUTWALMUDT-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[but-3-ynyl(ethyl)amino]propanoate
CID 62027913
N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine
CID 106211426
N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine
CID 115873084
N-but-3-ynyl-4,4-dimethyl-N-propylpentan-1-amine
CID 142817850
N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine
CID 115873081
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
1-N,1-N-diethylhept-6-yne-1,3-diamine
CID 79087129
N,N-dimethylbut-3-yn-1-amine;ethane
CID 142119055
N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine
CID 107913911
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
CID 171750142

Frequently Asked Questions

What is the IUPAC name of N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine (CID 102996136) is N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine is C#CCCN(CC)CCCN(CC)CC.
What is the InChIKey of N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is URQGXUTWALMUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-9-11-15(8-4)13-10-12-14(6-2)7-3/h1H,6-13H2,2-4H3.
What are the key properties of N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine?
N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-ynyl-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102996136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).