N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine

C14H30N2 — CID 103904920

IUPACN-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)NC[C@@H]1CCCN1CC(C)C
InChIInChI=1S/C14H30N2/c1-5-13(6-2)15-10-14-8-7-9-16(14)11-12(3)4/h12-15H,5-11H2,1-4H3/t14-/m0/s1
InChIKeySKAIZZYXSNGMCA-AWEZNQCLSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds7

About N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine

N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine (PubChem CID 103904920) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine
PubChem CID103904920
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)NC[C@@H]1CCCN1CC(C)C
InChIInChI=1S/C14H30N2/c1-5-13(6-2)15-10-14-8-7-9-16(14)11-12(3)4/h12-15H,5-11H2,1-4H3/t14-/m0/s1
InChIKeySKAIZZYXSNGMCA-AWEZNQCLSA-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-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 115716465
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]cyclopentanamine
CID 103852150
N-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine
CID 19845975
N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916
1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea
CID 109499738
2,2-dimethyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103838761
2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579838
(2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine
CID 165411366
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817
(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine
CID 93283182

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine?
The IUPAC name of N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine (CID 103904920) is N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine.
What is the SMILES notation for N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine?
The canonical SMILES for N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine is CCC(CC)NC[C@@H]1CCCN1CC(C)C.
What is the InChIKey of N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine?
The InChIKey is SKAIZZYXSNGMCA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-13(6-2)15-10-14-8-7-9-16(14)11-12(3)4/h12-15H,5-11H2,1-4H3/t14-/m0/s1.
What are the key properties of N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine?
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-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 N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine is sourced from PubChem (CID 103904920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).