2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine

C16H32N2 — CID 142067893

IUPAC2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine
SMILESCC(C)=CC[C@H](C)CN1CCCC1CCN(C)C
InChIInChI=1S/C16H32N2/c1-14(2)8-9-15(3)13-18-11-6-7-16(18)10-12-17(4)5/h8,15-16H,6-7,9-13H2,1-5H3/t15-,16?/m0/s1
InChIKeyIVAUGXSFVJWENB-VYRBHSGPSA-N
MW252.45 g/mol
LogP3.39
Rot. Bonds7

About 2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine

2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine (PubChem CID 142067893) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine
PubChem CID142067893
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine
SMILESCC(C)=CC[C@H](C)CN1CCCC1CCN(C)C
InChIInChI=1S/C16H32N2/c1-14(2)8-9-15(3)13-18-11-6-7-16(18)10-12-17(4)5/h8,15-16H,6-7,9-13H2,1-5H3/t15-,16?/m0/s1
InChIKeyIVAUGXSFVJWENB-VYRBHSGPSA-N
XLogP3.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine
CID 83835392
[(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol
CID 79028743
1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol
CID 114338880
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492
[(2R)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 66262417
1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol
CID 112748261
(2S)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 103934614
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropan-2-amine
CID 62886469
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol
CID 83057094
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine (CID 142067893) is 2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine is CC(C)=CC[C@H](C)CN1CCCC1CCN(C)C.
What is the InChIKey of 2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine?
The InChIKey is IVAUGXSFVJWENB-VYRBHSGPSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(2)8-9-15(3)13-18-11-6-7-16(18)10-12-17(4)5/h8,15-16H,6-7,9-13H2,1-5H3/t15-,16?/m0/s1.
What are the key properties of 2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine?
2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine has a molecular weight of 252.45 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2,5-dimethylhex-4-enyl]pyrrolidin-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 142067893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).