N'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine

C15H22N2 — CID 67917354

IUPACN'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine
SMILESCCCN(CC#CCN)C(C)c1ccccc1
InChIInChI=1S/C15H22N2/c1-3-12-17(13-8-7-11-16)14(2)15-9-5-4-6-10-15/h4-6,9-10,14H,3,11-13,16H2,1-2H3
InChIKeyUAMXHDJOCMFWSL-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.42
Rot. Bonds5

About N'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine

N'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine (PubChem CID 67917354) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine.

Molecular Properties

Compound NameN'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine
PubChem CID67917354
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine
SMILESCCCN(CC#CCN)C(C)c1ccccc1
InChIInChI=1S/C15H22N2/c1-3-12-17(13-8-7-11-16)14(2)15-9-5-4-6-10-15/h4-6,9-10,14H,3,11-13,16H2,1-2H3
InChIKeyUAMXHDJOCMFWSL-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.42
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

1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
N-ethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62778521
N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494795
2-[2-chloroethyl-[(1S)-1-phenylethyl]amino]acetonitrile
CID 11629945
azane;N-octadecyl-N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 174860139
N,N-bis(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 138396559
N,N-diethyl-1-phenylethanamine;nitroxyl
CID 144554786
(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019
N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 112501735
N'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
CID 173045613
N'-ethyl-1,2-diphenyl-N'-propylethane-1,2-diamine
CID 43268684
1-phenylethyl(propyl)carbamic acid
CID 57360234

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine?
The IUPAC name of N'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine (CID 67917354) is N'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine.
What is the SMILES notation for N'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine?
The canonical SMILES for N'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine is CCCN(CC#CCN)C(C)c1ccccc1.
What is the InChIKey of N'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine?
The InChIKey is UAMXHDJOCMFWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-12-17(13-8-7-11-16)14(2)15-9-5-4-6-10-15/h4-6,9-10,14H,3,11-13,16H2,1-2H3.
What are the key properties of N'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine?
N'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine has a molecular weight of 230.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine is sourced from PubChem (CID 67917354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).