2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine

C14H29N3O — CID 62887699

IUPAC2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCN(C)CC1CCCN1CCNCC1CCCO1
InChIInChI=1S/C14H29N3O/c1-16(2)12-13-5-3-8-17(13)9-7-15-11-14-6-4-10-18-14/h13-15H,3-12H2,1-2H3
InChIKeyQFVLGZHYDNRWGS-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.78
Rot. Bonds7

About 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 62887699) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID62887699
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCN(C)CC1CCCN1CCNCC1CCCO1
InChIInChI=1S/C14H29N3O/c1-16(2)12-13-5-3-8-17(13)9-7-15-11-14-6-4-10-18-14/h13-15H,3-12H2,1-2H3
InChIKeyQFVLGZHYDNRWGS-UHFFFAOYSA-N
XLogP0.78
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.78
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-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 65161350
N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]cyclopropanamine
CID 62886265
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 79946193
N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62856420
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 55089832
3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 113219606
N,N-dimethyl-1-[1-(2-morpholin-2-ylethyl)pyrrolidin-2-yl]methanamine
CID 66428357
N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine
CID 62887865
2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 62557540
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methanamine
CID 65160928
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403752

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine (CID 62887699) is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine is CN(C)CC1CCCN1CCNCC1CCCO1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is QFVLGZHYDNRWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-16(2)12-13-5-3-8-17(13)9-7-15-11-14-6-4-10-18-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine?
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 255.41 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 62887699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).