2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine

C14H31N3 — CID 55127518

IUPAC2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)N1CCCC1CN(C)C
InChIInChI=1S/C14H31N3/c1-6-14(15-7-2)12(3)17-10-8-9-13(17)11-16(4)5/h12-15H,6-11H2,1-5H3
InChIKeyHBYCKMVNIFEMRE-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds7

About 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine (PubChem CID 55127518) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine
PubChem CID55127518
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)N1CCCC1CN(C)C
InChIInChI=1S/C14H31N3/c1-6-14(15-7-2)12(3)17-10-8-9-13(17)11-16(4)5/h12-15H,6-11H2,1-5H3
InChIKeyHBYCKMVNIFEMRE-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine
CID 114086705
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one
CID 62889835
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
CID 62900480
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile
CID 62886111
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanoate
CID 55128089
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide
CID 63573193
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine
CID 62885371
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide
CID 76975863
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine
CID 55128341
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine
CID 62887144
N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-amine
CID 106586663
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropan-2-amine
CID 62886469

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine (CID 55127518) is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine is CCNC(CC)C(C)N1CCCC1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine?
The InChIKey is HBYCKMVNIFEMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-6-14(15-7-2)12(3)17-10-8-9-13(17)11-16(4)5/h12-15H,6-11H2,1-5H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine?
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine is sourced from PubChem (CID 55127518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).