(2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine

C15H23N — CID 102122071

IUPAC(2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine
SMILESC=CC[C@H](C)CN(C)[C@@H](C)c1ccccc1
InChIInChI=1S/C15H23N/c1-5-9-13(2)12-16(4)14(3)15-10-7-6-8-11-15/h5-8,10-11,13-14H,1,9,12H2,2-4H3/t13-,14-/m0/s1
InChIKeyGJWNFMTUHOGPTG-KBPBESRZSA-N
MW217.36 g/mol
LogP3.89
Rot. Bonds6

About (2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine

(2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine (PubChem CID 102122071) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine.

Molecular Properties

Compound Name(2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine
PubChem CID102122071
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine
SMILESC=CC[C@H](C)CN(C)[C@@H](C)c1ccccc1
InChIInChI=1S/C15H23N/c1-5-9-13(2)12-16(4)14(3)15-10-7-6-8-11-15/h5-8,10-11,13-14H,1,9,12H2,2-4H3/t13-,14-/m0/s1
InChIKeyGJWNFMTUHOGPTG-KBPBESRZSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 14958608
N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride
CID 3046459
(1S)-N-methyl-1-phenyl-N-(trimethylsilylmethyl)ethanamine
CID 141001735
N-methyl-1-phenyl-N-(trimethylsilylmethyl)ethanamine
CID 15113036
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline
CID 93477605
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine?
The IUPAC name of (2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine (CID 102122071) is (2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine.
What is the SMILES notation for (2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine?
The canonical SMILES for (2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine is C=CC[C@H](C)CN(C)[C@@H](C)c1ccccc1.
What is the InChIKey of (2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine?
The InChIKey is GJWNFMTUHOGPTG-KBPBESRZSA-N. The full InChI is InChI=1S/C15H23N/c1-5-9-13(2)12-16(4)14(3)15-10-7-6-8-11-15/h5-8,10-11,13-14H,1,9,12H2,2-4H3/t13-,14-/m0/s1.
What are the key properties of (2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine?
(2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine is sourced from PubChem (CID 102122071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).