1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine

C21H25N — CID 101346242

IUPAC1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine
SMILESCC(C)N(C(C)C)C(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N/c1-17(2)22(18(3)4)21(20-13-9-6-10-14-20)16-15-19-11-7-5-8-12-19/h5-14,17-18,21H,1-4H3
InChIKeyNSKUNGAIRGTPDD-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.90
Rot. Bonds4

About 1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine

1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine (PubChem CID 101346242) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine
PubChem CID101346242
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine
SMILESCC(C)N(C(C)C)C(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N/c1-17(2)22(18(3)4)21(20-13-9-6-10-14-20)16-15-19-11-7-5-8-12-19/h5-14,17-18,21H,1-4H3
InChIKeyNSKUNGAIRGTPDD-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
CID 54579274
4-phenylbut-3-yn-2-amine;hydrochloride
CID 146445428
[(3S)-3-bromobut-1-ynyl]benzene
CID 99864815
N,N-diethyl-4-phenylbut-3-yn-2-amine
CID 3146070
(2S,3R)-5-phenylpent-4-yne-2,3-diol
CID 130992150
1-methyl-4-(4-phenylbut-3-yn-2-yl)benzene
CID 102286011
N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
CID 135025577
N-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-N-piperidin-1-ylpiperidin-1-amine
CID 102113169
4-tert-butyl-N-(1,3-diphenylprop-2-ynyl)-N-prop-2-ynylbenzenesulfonamide
CID 176780215
4-[(3R)-3-phenylbut-1-ynyl]benzonitrile
CID 138911176
1-bromo-4-(4-phenylbut-3-yn-2-yl)benzene
CID 132575783
N-[[di(propan-2-yl)amino]-(2-phenylethynyl)boranyl]-N-propan-2-ylpropan-2-amine
CID 15261441

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine?
The IUPAC name of 1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine (CID 101346242) is 1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine.
What is the SMILES notation for 1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine?
The canonical SMILES for 1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine is CC(C)N(C(C)C)C(C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine?
The InChIKey is NSKUNGAIRGTPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-17(2)22(18(3)4)21(20-13-9-6-10-14-20)16-15-19-11-7-5-8-12-19/h5-14,17-18,21H,1-4H3.
What are the key properties of 1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine?
1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine is sourced from PubChem (CID 101346242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).