1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine

C14H20N2 — CID 82939226

IUPAC1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine
SMILESCC(CN(C)C)NCC#Cc1ccccc1
InChIInChI=1S/C14H20N2/c1-13(12-16(2)3)15-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,15H,11-12H2,1-3H3
InChIKeyWOFKOKDPYDVCRJ-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.58
Rot. Bonds4

About 1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine

1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine (PubChem CID 82939226) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine
PubChem CID82939226
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine
SMILESCC(CN(C)C)NCC#Cc1ccccc1
InChIInChI=1S/C14H20N2/c1-13(12-16(2)3)15-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,15H,11-12H2,1-3H3
InChIKeyWOFKOKDPYDVCRJ-UHFFFAOYSA-N
XLogP1.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.58
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-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-ynyl)butane-1,2-diamine
CID 62340036
2-N-(2,2-diphenylethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 107292758
2,2,3-trimethyl-N-(3-phenylprop-2-ynyl)butan-1-amine
CID 114099863
4-methylpent-1-ynylbenzene
CID 12861410
3-phenyl-N-propylprop-2-yn-1-amine
CID 4717506
N-[1-(4-chlorophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 62340706
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 81347915
N-[(1R)-1-(4-bromophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 81360187
N-(3-phenylprop-2-ynyl)pent-2-en-1-amine
CID 146019761
1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine
CID 55060425
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-phenylprop-2-yn-1-amine
CID 166224102
3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine
CID 81401770

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine (CID 82939226) is 1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine is CC(CN(C)C)NCC#Cc1ccccc1.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine?
The InChIKey is WOFKOKDPYDVCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-13(12-16(2)3)15-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,15H,11-12H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine has a molecular weight of 216.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine is sourced from PubChem (CID 82939226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).