N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine

C13H19N — CID 14958608

IUPACN,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
SMILESC=C(C)CN(C)[C@H](C)c1ccccc1
InChIInChI=1S/C13H19N/c1-11(2)10-14(4)12(3)13-8-6-5-7-9-13/h5-9,12H,1,10H2,2-4H3/t12-/m1/s1
InChIKeySJSMSPGSGOXPOM-GFCCVEGCSA-N
MW189.30 g/mol
LogP3.26
Rot. Bonds4

About N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine

N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine (PubChem CID 14958608) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
PubChem CID14958608
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
SMILESC=C(C)CN(C)[C@H](C)c1ccccc1
InChIInChI=1S/C13H19N/c1-11(2)10-14(4)12(3)13-8-6-5-7-9-13/h5-9,12H,1,10H2,2-4H3/t12-/m1/s1
InChIKeySJSMSPGSGOXPOM-GFCCVEGCSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine (CID 14958608) is N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine is C=C(C)CN(C)[C@H](C)c1ccccc1.
What is the InChIKey of N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine?
The InChIKey is SJSMSPGSGOXPOM-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N/c1-11(2)10-14(4)12(3)13-8-6-5-7-9-13/h5-9,12H,1,10H2,2-4H3/t12-/m1/s1.
What are the key properties of N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine?
N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine is sourced from PubChem (CID 14958608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).