N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine

C20H23N — CID 104716082

IUPACN-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine
SMILESC#CCC(C)NC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H23N/c1-3-10-17(2)21-20(15-18-11-6-4-7-12-18)16-19-13-8-5-9-14-19/h1,4-9,11-14,17,20-21H,10,15-16H2,2H3
InChIKeyUKISUJLSMZAKSM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.84
Rot. Bonds7

About N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine

N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine (PubChem CID 104716082) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine
PubChem CID104716082
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine
SMILESC#CCC(C)NC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H23N/c1-3-10-17(2)21-20(15-18-11-6-4-7-12-18)16-19-13-8-5-9-14-19/h1,4-9,11-14,17,20-21H,10,15-16H2,2H3
InChIKeyUKISUJLSMZAKSM-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-2-phenylethyl)pent-4-yn-2-amine
CID 59481141
N-(1-fluoro-2-phenylethyl)pent-4-yn-2-amine
CID 59481139
N-(4-phenylbutan-2-yl)pent-4-yn-2-amine
CID 115664215
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
N-[1-(4-chlorophenyl)propan-2-yl]pent-4-yn-2-amine
CID 103911051
2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
3-methyl-N-pent-4-yn-2-yl-1-phenylbutan-1-amine
CID 113250291
N-pent-4-yn-2-ylpentan-3-amine
CID 115725330
4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine
CID 79009148
N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine
CID 103910959
N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine
CID 113262082
(2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol
CID 102613780

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine?
The IUPAC name of N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine (CID 104716082) is N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine.
What is the SMILES notation for N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine?
The canonical SMILES for N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine is C#CCC(C)NC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine?
The InChIKey is UKISUJLSMZAKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-3-10-17(2)21-20(15-18-11-6-4-7-12-18)16-19-13-8-5-9-14-19/h1,4-9,11-14,17,20-21H,10,15-16H2,2H3.
What are the key properties of N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine?
N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine is sourced from PubChem (CID 104716082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).