N-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine

C14H19N — CID 14142539

IUPACN-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine
SMILESCC=C=CCN(C)[C@@H](C)c1ccccc1
InChIInChI=1S/C14H19N/c1-4-5-9-12-15(3)13(2)14-10-7-6-8-11-14/h4,6-11,13H,12H2,1-3H3/t5?,13-/m0/s1
InChIKeyGZAVCCSXCPNMJG-BZQJZJKOSA-N
MW201.31 g/mol
LogP3.41
Rot. Bonds4

About N-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine

N-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine (PubChem CID 14142539) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine
PubChem CID14142539
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine
SMILESCC=C=CCN(C)[C@@H](C)c1ccccc1
InChIInChI=1S/C14H19N/c1-4-5-9-12-15(3)13(2)14-10-7-6-8-11-14/h4,6-11,13H,12H2,1-3H3/t5?,13-/m0/s1
InChIKeyGZAVCCSXCPNMJG-BZQJZJKOSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine?
The IUPAC name of N-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine (CID 14142539) is N-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine.
What is the SMILES notation for N-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine?
The canonical SMILES for N-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine is CC=C=CCN(C)[C@@H](C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine?
The InChIKey is GZAVCCSXCPNMJG-BZQJZJKOSA-N. The full InChI is InChI=1S/C14H19N/c1-4-5-9-12-15(3)13(2)14-10-7-6-8-11-14/h4,6-11,13H,12H2,1-3H3/t5?,13-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine?
N-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-1-phenylethyl]penta-2,3-dien-1-amine is sourced from PubChem (CID 14142539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).