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

C10H22N2 — CID 104870141

IUPACN-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
SMILESCCC(C)N(C)C[C@@H]1CCCN1
InChIInChI=1S/C10H22N2/c1-4-9(2)12(3)8-10-6-5-7-11-10/h9-11H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyDIIZJYOCUWUGAL-AXDSSHIGSA-N
MW170.30 g/mol
LogP1.47
Rot. Bonds4

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

N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine (PubChem CID 104870141) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
PubChem CID104870141
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
SMILESCCC(C)N(C)C[C@@H]1CCCN1
InChIInChI=1S/C10H22N2/c1-4-9(2)12(3)8-10-6-5-7-11-10/h9-11H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyDIIZJYOCUWUGAL-AXDSSHIGSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine
CID 102819660
4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106602392
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 177210581
1-cyclopropyl-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602779
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603221
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
CID 106623140
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-(azocan-2-ylmethyl)-N-methyl-1-methylsulfanylbutan-2-amine
CID 114240397
2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281
N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979274
N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine
CID 104870302

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine?
The IUPAC name of N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine (CID 104870141) is N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine?
The canonical SMILES for N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine is CCC(C)N(C)C[C@@H]1CCCN1.
What is the InChIKey of N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine?
The InChIKey is DIIZJYOCUWUGAL-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-9(2)12(3)8-10-6-5-7-11-10/h9-11H,4-8H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine?
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine has a molecular weight of 170.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 104870141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).