N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine

C12H26N2 — CID 62513073

IUPACN-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)C(C)C)C1
InChIInChI=1S/C12H26N2/c1-5-13-8-12-6-7-14(9-12)11(4)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyVUZFTVFOZGZLLO-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds5

About N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine

N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 62513073) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID62513073
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)C(C)C)C1
InChIInChI=1S/C12H26N2/c1-5-13-8-12-6-7-14(9-12)11(4)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyVUZFTVFOZGZLLO-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62511464
N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62512276
N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 63292127
N-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine
CID 80550533
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512455
N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62511490
1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen
CID 144853356
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine
CID 61207361
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 80693739
1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 146382593
2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 63847237
5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol
CID 107707674

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine (CID 62513073) is N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(C(C)C(C)C)C1.
What is the InChIKey of N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is VUZFTVFOZGZLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-13-8-12-6-7-14(9-12)11(4)10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62513073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).