3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine

C18H20N2 — CID 107292807

IUPAC3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine
SMILESC#CCNC(CN)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2/c1-2-13-20-17(14-19)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h1,3-12,17-18,20H,13-14,19H2
InChIKeyFMKCMRCOUPNLIR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.37
Rot. Bonds6

About 3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine

3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine (PubChem CID 107292807) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine.

Molecular Properties

Compound Name3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine
PubChem CID107292807
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine
SMILESC#CCNC(CN)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2/c1-2-13-20-17(14-19)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h1,3-12,17-18,20H,13-14,19H2
InChIKeyFMKCMRCOUPNLIR-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-diphenyl-2-N-propylpropane-1,2-diamine
CID 107292802
N-ethyl-1,1-diphenylpent-4-yn-2-amine
CID 62233520
1,1-diphenyl-N-propylpent-4-yn-2-amine
CID 62233521
3-phenyl-N-prop-2-ynylbutan-2-amine
CID 115706901
1,1-diphenylpent-4-yn-2-amine
CID 55052593
3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
CID 43755356
(1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine
CID 121446388
2-benzhydryl-3,3-diphenylpropan-1-amine
CID 139723407
1-(3-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381566
N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine
CID 43235878
1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380773
2,3,3-triphenylpropan-1-amine
CID 11781172

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine?
The IUPAC name of 3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine (CID 107292807) is 3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine.
What is the SMILES notation for 3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine?
The canonical SMILES for 3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine is C#CCNC(CN)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine?
The InChIKey is FMKCMRCOUPNLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-13-20-17(14-19)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h1,3-12,17-18,20H,13-14,19H2.
What are the key properties of 3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine?
3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine is sourced from PubChem (CID 107292807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).