N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine

C10H22N2 — CID 28598118

IUPACN-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
SMILESCCCCN(C)C[C@H]1CCCN1
InChIInChI=1S/C10H22N2/c1-3-4-8-12(2)9-10-6-5-7-11-10/h10-11H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyGUSBTRIFRKGHEA-SNVBAGLBSA-N
MW170.30 g/mol
LogP1.47
Rot. Bonds5

About N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine

N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine (PubChem CID 28598118) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
PubChem CID28598118
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
SMILESCCCCN(C)C[C@H]1CCCN1
InChIInChI=1S/C10H22N2/c1-3-4-8-12(2)9-10-6-5-7-11-10/h10-11H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyGUSBTRIFRKGHEA-SNVBAGLBSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
3-methoxy-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819506
4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106613835
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol
CID 106635214
1-butyl-3,3-dimethyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613384
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
CID 106613827
N-[(E)-but-2-enyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616935
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972
1-cyclopentyl-N-methyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 63631590
N-methyl-N-(piperidin-2-ylmethyl)hept-6-en-1-amine
CID 107008102

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine (CID 28598118) is N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine is CCCCN(C)C[C@H]1CCCN1.
What is the InChIKey of N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine?
The InChIKey is GUSBTRIFRKGHEA-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-4-8-12(2)9-10-6-5-7-11-10/h10-11H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine?
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 28598118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).