N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine

C16H24N2 — CID 113482426

IUPACN'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
SMILESC#CC(C)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C16H24N2/c1-5-14(4)17-13-16(18(6-2)7-3)15-11-9-8-10-12-15/h1,8-12,14,16-17H,6-7,13H2,2-4H3
InChIKeyICRRBHAUNMVKQM-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.68
Rot. Bonds7

About N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine

N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine (PubChem CID 113482426) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
PubChem CID113482426
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
SMILESC#CC(C)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C16H24N2/c1-5-14(4)17-13-16(18(6-2)7-3)15-11-9-8-10-12-15/h1,8-12,14,16-17H,6-7,13H2,2-4H3
InChIKeyICRRBHAUNMVKQM-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.68
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

N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 107906481
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43192161
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62422185
2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile
CID 43199335
N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62424987
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid
CID 103235339
N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine
CID 110826595
N,N-diethyl-N'-(5-fluoropyrimidin-2-yl)-1-phenylethane-1,2-diamine
CID 115749857
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
CID 54940285

Frequently Asked Questions

What is the IUPAC name of N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine (CID 113482426) is N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine is C#CC(C)NCC(c1ccccc1)N(CC)CC.
What is the InChIKey of N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine?
The InChIKey is ICRRBHAUNMVKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-5-14(4)17-13-16(18(6-2)7-3)15-11-9-8-10-12-15/h1,8-12,14,16-17H,6-7,13H2,2-4H3.
What are the key properties of N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine?
N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 113482426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).