N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine

C13H28N2 — CID 61208503

IUPACN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCC1CCN(C(C)C)C1
InChIInChI=1S/C13H28N2/c1-5-13(6-2)14-9-12-7-8-15(10-12)11(3)4/h11-14H,5-10H2,1-4H3
InChIKeyNPLDKIAVAMREJO-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds6

About N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine (PubChem CID 61208503) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
PubChem CID61208503
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCC1CCN(C(C)C)C1
InChIInChI=1S/C13H28N2/c1-5-13(6-2)14-9-12-7-8-15(10-12)11(3)4/h11-14H,5-10H2,1-4H3
InChIKeyNPLDKIAVAMREJO-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine
CID 61207933
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine
CID 103096871
1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61208115
1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 146382593
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 80693739
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine
CID 61207361
1-cyclopropyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62980807
N-[[1-(1-cyclohexylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62523661
3-ethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclopentan-1-amine
CID 64501124
N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine
CID 115905500
1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62976183

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine (CID 61208503) is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine is CCC(CC)NCC1CCN(C(C)C)C1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine?
The InChIKey is NPLDKIAVAMREJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(6-2)14-9-12-7-8-15(10-12)11(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine?
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine is sourced from PubChem (CID 61208503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).