ethane;N-ethyl-1-methylpyrrolidin-3-amine

C9H22N2 — CID 145338055

IUPACethane;N-ethyl-1-methylpyrrolidin-3-amine
SMILESCC.CCNC1CCN(C)C1
InChIInChI=1S/C7H16N2.C2H6/c1-3-8-7-4-5-9(2)6-7;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyYZPUERHMTDTCJZ-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.33
Rot. Bonds2

About ethane;N-ethyl-1-methylpyrrolidin-3-amine

ethane;N-ethyl-1-methylpyrrolidin-3-amine (PubChem CID 145338055) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is ethane;N-ethyl-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Nameethane;N-ethyl-1-methylpyrrolidin-3-amine
PubChem CID145338055
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Nameethane;N-ethyl-1-methylpyrrolidin-3-amine
SMILESCC.CCNC1CCN(C)C1
InChIInChI=1S/C7H16N2.C2H6/c1-3-8-7-4-5-9(2)6-7;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyYZPUERHMTDTCJZ-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
N-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 60855604
[(1-methylpyrrolidin-3-yl)amino]methanethiol
CID 115227697
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689
N-hexyl-1-methylpyrrolidin-3-amine
CID 61462127
(3S)-N-heptyl-1-methylpyrrolidin-3-amine
CID 143197817
N-ethyl-1-(1-methylpiperidin-3-yl)piperidin-4-amine
CID 61223610
N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine
CID 107898844
N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206314
2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol
CID 153330305
ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
CID 143082403
1-methyl-N-[3-(propylamino)pyrrolidin-1-yl]sulfanylpyrrolidin-3-amine
CID 167067670

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-1-methylpyrrolidin-3-amine?
The IUPAC name of ethane;N-ethyl-1-methylpyrrolidin-3-amine (CID 145338055) is ethane;N-ethyl-1-methylpyrrolidin-3-amine.
What is the SMILES notation for ethane;N-ethyl-1-methylpyrrolidin-3-amine?
The canonical SMILES for ethane;N-ethyl-1-methylpyrrolidin-3-amine is CC.CCNC1CCN(C)C1.
What is the InChIKey of ethane;N-ethyl-1-methylpyrrolidin-3-amine?
The InChIKey is YZPUERHMTDTCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2H6/c1-3-8-7-4-5-9(2)6-7;1-2/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethyl-1-methylpyrrolidin-3-amine?
ethane;N-ethyl-1-methylpyrrolidin-3-amine has a molecular weight of 158.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 145338055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).