N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine

C15H32N2 — CID 62511464

IUPACN-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)CCCC(C)C)C1
InChIInChI=1S/C15H32N2/c1-5-16-11-15-9-10-17(12-15)14(4)8-6-7-13(2)3/h13-16H,5-12H2,1-4H3
InChIKeyHMLVSZHSHIYYQV-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds8

About N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine

N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 62511464) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID62511464
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)CCCC(C)C)C1
InChIInChI=1S/C15H32N2/c1-5-16-11-15-9-10-17(12-15)14(4)8-6-7-13(2)3/h13-16H,5-12H2,1-4H3
InChIKeyHMLVSZHSHIYYQV-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513073
N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine
CID 62511473
N-methyl-1-(1-pentan-2-ylpyrrolidin-3-yl)methanamine
CID 62511893
N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine
CID 83158561
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-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62581148
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine
CID 61207361
N-[(1-heptan-2-ylpiperidin-3-yl)methyl]propan-2-amine
CID 80558125
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62513962
1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 114868388

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine (CID 62511464) is N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(C(C)CCCC(C)C)C1.
What is the InChIKey of N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is HMLVSZHSHIYYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-16-11-15-9-10-17(12-15)14(4)8-6-7-13(2)3/h13-16H,5-12H2,1-4H3.
What are the key properties of N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62511464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).