ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine

C12H28N2 — CID 166168128

IUPACethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine
SMILESCC.CNC1CCN(CCC(C)C)C1
InChIInChI=1S/C10H22N2.C2H6/c1-9(2)4-6-12-7-5-10(8-12)11-3;1-2/h9-11H,4-8H2,1-3H3;1-2H3
InChIKeyHNRVXRBCNNPDPG-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.35
Rot. Bonds4

About ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine

ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine (PubChem CID 166168128) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine.

Molecular Properties

Compound Nameethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine
PubChem CID166168128
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Nameethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine
SMILESCC.CNC1CCN(CCC(C)C)C1
InChIInChI=1S/C10H22N2.C2H6/c1-9(2)4-6-12-7-5-10(8-12)11-3;1-2/h9-11H,4-8H2,1-3H3;1-2H3
InChIKeyHNRVXRBCNNPDPG-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutyl)-N-propylpyrrolidin-3-amine
CID 43314968
1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
CID 164928841
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine
CID 106039993
3-bromo-1-(3-methylbutyl)pyrrolidine
CID 80676511
3-iodo-1-(3-methylbutyl)pyrrolidine
CID 126716401
3-(2-bromoethyl)-1-(3-methylbutyl)pyrrolidine
CID 114800350
1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
CID 43315586
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
N-methyl-1-(2-propoxyethyl)pyrrolidin-3-amine
CID 106455097
ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide
CID 157028583

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine?
The IUPAC name of ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine (CID 166168128) is ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine.
What is the SMILES notation for ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine?
The canonical SMILES for ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine is CC.CNC1CCN(CCC(C)C)C1.
What is the InChIKey of ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine?
The InChIKey is HNRVXRBCNNPDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C2H6/c1-9(2)4-6-12-7-5-10(8-12)11-3;1-2/h9-11H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine?
ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine has a molecular weight of 200.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine is sourced from PubChem (CID 166168128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).