3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine

C14H30N2 — CID 106603765

IUPAC3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
SMILESCCCN(CC1CCCN1)C(C)C(C)CC
InChIInChI=1S/C14H30N2/c1-5-10-16(13(4)12(3)6-2)11-14-8-7-9-15-14/h12-15H,5-11H2,1-4H3
InChIKeyFRWLWWFIZOMLSE-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds7

About 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine

3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine (PubChem CID 106603765) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
PubChem CID106603765
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
SMILESCCCN(CC1CCCN1)C(C)C(C)CC
InChIInChI=1S/C14H30N2/c1-5-10-16(13(4)12(3)6-2)11-14-8-7-9-15-14/h12-15H,5-11H2,1-4H3
InChIKeyFRWLWWFIZOMLSE-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106602821
N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
CID 64570168
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-(piperidin-2-ylmethyl)-N-propylpent-1-yn-3-amine
CID 106635971
N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603851
N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603489
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 106605357
N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine
CID 106623511
2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile
CID 106635857
N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine
CID 104870302
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine?
The IUPAC name of 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine (CID 106603765) is 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine?
The canonical SMILES for 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine is CCCN(CC1CCCN1)C(C)C(C)CC.
What is the InChIKey of 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine?
The InChIKey is FRWLWWFIZOMLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-10-16(13(4)12(3)6-2)11-14-8-7-9-15-14/h12-15H,5-11H2,1-4H3.
What are the key properties of 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine?
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 106603765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).