1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine

C11H25N3 — CID 146382593

IUPAC1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
SMILESCC(N)CNCC1CCN(C(C)C)C1
InChIInChI=1S/C11H25N3/c1-9(2)14-5-4-11(8-14)7-13-6-10(3)12/h9-11,13H,4-8,12H2,1-3H3
InChIKeyOJWYDQJZBWKDCN-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.65
Rot. Bonds5

About 1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine

1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine (PubChem CID 146382593) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
PubChem CID146382593
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
SMILESCC(N)CNCC1CCN(C(C)C)C1
InChIInChI=1S/C11H25N3/c1-9(2)14-5-4-11(8-14)7-13-6-10(3)12/h9-11,13H,4-8,12H2,1-3H3
InChIKeyOJWYDQJZBWKDCN-UHFFFAOYSA-N
XLogP0.65
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide
CID 77032142
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 80693739
methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate
CID 103243768
2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 81412153
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine
CID 61207361
1-N-(cyclopentylmethyl)propane-1,2-diamine
CID 115196604
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
CID 61208503
3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 81093588
4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 95589080
1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588258
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine (CID 146382593) is 1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine is CC(N)CNCC1CCN(C(C)C)C1.
What is the InChIKey of 1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine?
The InChIKey is OJWYDQJZBWKDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-9(2)14-5-4-11(8-14)7-13-6-10(3)12/h9-11,13H,4-8,12H2,1-3H3.
What are the key properties of 1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine?
1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 146382593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).