N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine

C14H29N3O — CID 81469540

IUPACN,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine
SMILESCC1CN(CCNCC2CCOC2)CC1N(C)C
InChIInChI=1S/C14H29N3O/c1-12-9-17(10-14(12)16(2)3)6-5-15-8-13-4-7-18-11-13/h12-15H,4-11H2,1-3H3
InChIKeyZPOQAGAUIVINRD-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.49
Rot. Bonds6

About N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine (PubChem CID 81469540) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine
PubChem CID81469540
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine
SMILESCC1CN(CCNCC2CCOC2)CC1N(C)C
InChIInChI=1S/C14H29N3O/c1-12-9-17(10-14(12)16(2)3)6-5-15-8-13-4-7-18-11-13/h12-15H,4-11H2,1-3H3
InChIKeyZPOQAGAUIVINRD-UHFFFAOYSA-N
XLogP0.49
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.49
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

2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 55090292
N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574882
2-(4,4-diethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 55159679
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2-(2,4-dimethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62560487
2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62558124
2-(5-ethyl-2-methylmorpholin-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62557885
N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine
CID 81469991
1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one
CID 80582524
2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386351
2-(3-ethylmorpholin-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62559706
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine (CID 81469540) is N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine is CC1CN(CCNCC2CCOC2)CC1N(C)C.
What is the InChIKey of N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine?
The InChIKey is ZPOQAGAUIVINRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12-9-17(10-14(12)16(2)3)6-5-15-8-13-4-7-18-11-13/h12-15H,4-11H2,1-3H3.
What are the key properties of N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine has a molecular weight of 255.41 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 81469540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).