N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine

C15H33N3O — CID 62887865

IUPACN-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine
SMILESCCOCCCCNCCN1CCCC1CN(C)C
InChIInChI=1S/C15H33N3O/c1-4-19-13-6-5-9-16-10-12-18-11-7-8-15(18)14-17(2)3/h15-16H,4-14H2,1-3H3
InChIKeyHOCODBYFNWIGCM-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.42
Rot. Bonds11

About N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine

N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine (PubChem CID 62887865) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine
PubChem CID62887865
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC NameN-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine
SMILESCCOCCCCNCCN1CCCC1CN(C)C
InChIInChI=1S/C15H33N3O/c1-4-19-13-6-5-9-16-10-12-18-11-7-8-15(18)14-17(2)3/h15-16H,4-14H2,1-3H3
InChIKeyHOCODBYFNWIGCM-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-4-ethoxybutan-1-amine
CID 62554227
N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 58858738
4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 62575512
N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]cyclopropanamine
CID 62886265
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 79312374
4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine
CID 19846007
N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine
CID 62575422
2-(2-cyclopentylpyrrolidin-1-yl)-N-(2-ethoxyethyl)ethanamine
CID 62553906
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62887699
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine
CID 79313161
N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208969
4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560342

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine?
The IUPAC name of N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine (CID 62887865) is N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine.
What is the SMILES notation for N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine?
The canonical SMILES for N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine is CCOCCCCNCCN1CCCC1CN(C)C.
What is the InChIKey of N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine?
The InChIKey is HOCODBYFNWIGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-4-19-13-6-5-9-16-10-12-18-11-7-8-15(18)14-17(2)3/h15-16H,4-14H2,1-3H3.
What are the key properties of N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine?
N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 1.42, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine is sourced from PubChem (CID 62887865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).