3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C15H32N2O2 — CID 106614420

IUPAC3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCOC(CCN(CC1CCCN1)C(C)C)OCC
InChIInChI=1S/C15H32N2O2/c1-5-18-15(19-6-2)9-11-17(13(3)4)12-14-8-7-10-16-14/h13-16H,5-12H2,1-4H3
InChIKeyPNELQJOKZDBNPZ-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.24
Rot. Bonds10

About 3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106614420) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106614420
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCOC(CCN(CC1CCCN1)C(C)C)OCC
InChIInChI=1S/C15H32N2O2/c1-5-18-15(19-6-2)9-11-17(13(3)4)12-14-8-7-10-16-14/h13-16H,5-12H2,1-4H3
InChIKeyPNELQJOKZDBNPZ-UHFFFAOYSA-N
XLogP2.24
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-diethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599695
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate
CID 106614541
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603129
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106603765
3-methoxy-2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603209
N-(2-piperidin-1-ylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631959
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680

Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106614420) is 3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCOC(CCN(CC1CCCN1)C(C)C)OCC.
What is the InChIKey of 3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is PNELQJOKZDBNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-5-18-15(19-6-2)9-11-17(13(3)4)12-14-8-7-10-16-14/h13-16H,5-12H2,1-4H3.
What are the key properties of 3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 272.43 g/mol, XLogP of 2.24, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106614420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).