N-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene

C15H19N — CID 174695292

IUPACN-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene
SMILESC=CCNCC=C.CC#Cc1ccccc1
InChIInChI=1S/C9H8.C6H11N/c1-2-6-9-7-4-3-5-8-9;1-3-5-7-6-4-2/h3-5,7-8H,1H3;3-4,7H,1-2,5-6H2
InChIKeyRJDJUSGCHREBLQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.01
Rot. Bonds4

About N-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene

N-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene (PubChem CID 174695292) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene.

Molecular Properties

Compound NameN-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene
PubChem CID174695292
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene
SMILESC=CCNCC=C.CC#Cc1ccccc1
InChIInChI=1S/C9H8.C6H11N/c1-2-6-9-7-4-3-5-8-9;1-3-5-7-6-4-2/h3-5,7-8H,1H3;3-4,7H,1-2,5-6H2
InChIKeyRJDJUSGCHREBLQ-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

prop-1-ynylbenzene
CID 142310164
N-methylaniline;N-prop-2-enylprop-2-en-1-amine
CID 23221751
but-2-yne;bis(prop-1-yne);prop-1-ynylbenzene
CID 167573718
1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine
CID 67437631
1-phenylethanamine;N-prop-2-enylprop-2-en-1-amine
CID 174913202
2,2-dimethylpropan-1-amine;ethane;prop-1-ynylbenzene
CID 143509882
prop-1-yne;prop-1-ynylbenzene;toluene
CID 91009204
carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide
CID 11733398
1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene
CID 19781306
1,1'-biphenyl;but-2-yne;ethane;phenoxybenzene;prop-1-ynylbenzene
CID 159634981
N-(2-phenylsulfanylethyl)prop-2-en-1-amine
CID 15314258
N-(3-phenylprop-2-ynyl)pent-2-en-1-amine
CID 146019761

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene?
The IUPAC name of N-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene (CID 174695292) is N-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene.
What is the SMILES notation for N-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene?
The canonical SMILES for N-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene is C=CCNCC=C.CC#Cc1ccccc1.
What is the InChIKey of N-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene?
The InChIKey is RJDJUSGCHREBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.C6H11N/c1-2-6-9-7-4-3-5-8-9;1-3-5-7-6-4-2/h3-5,7-8H,1H3;3-4,7H,1-2,5-6H2.
What are the key properties of N-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene?
N-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene has a molecular weight of 213.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene is sourced from PubChem (CID 174695292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).