ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine

C11H26N2 — CID 145468327

IUPACethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
SMILESCC.CNCCCC1CCCN1C
InChIInChI=1S/C9H20N2.C2H6/c1-10-7-3-5-9-6-4-8-11(9)2;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyOLVSIXKYSOLCEE-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.11
Rot. Bonds4

About ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine

ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine (PubChem CID 145468327) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
PubChem CID145468327
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Nameethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
SMILESCC.CNCCCC1CCCN1C
InChIInChI=1S/C9H20N2.C2H6/c1-10-7-3-5-9-6-4-8-11(9)2;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyOLVSIXKYSOLCEE-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 70383775
N-methyl-4-(1-methylpiperidin-2-yl)butan-1-amine
CID 121221917
N-methyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]propan-1-amine
CID 62459710
3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine
CID 102569972
ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine
CID 178086469
1-methyl-2-tetradecylpyrrolidine
CID 24796983
11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol
CID 11777143
N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 102569971
N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride
CID 167741784
3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 102551343
N-[2-(1-methylpyrrolidin-2-yl)ethyl]octan-1-amine
CID 166754142
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine?
The IUPAC name of ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine (CID 145468327) is ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine.
What is the SMILES notation for ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine?
The canonical SMILES for ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine is CC.CNCCCC1CCCN1C.
What is the InChIKey of ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine?
The InChIKey is OLVSIXKYSOLCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C2H6/c1-10-7-3-5-9-6-4-8-11(9)2;1-2/h9-10H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine?
ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine has a molecular weight of 186.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine is sourced from PubChem (CID 145468327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).