N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine

C15H30N2O — CID 65161350

IUPACN-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1CCCC1CCCO1
InChIInChI=1S/C15H30N2O/c1-2-9-16-13-14-6-3-10-17(14)11-4-7-15-8-5-12-18-15/h14-16H,2-13H2,1H3
InChIKeyCRXFAOXVCQPXOP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds8

About N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine

N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 65161350) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID65161350
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1CCCC1CCCO1
InChIInChI=1S/C15H30N2O/c1-2-9-16-13-14-6-3-10-17(14)11-4-7-15-8-5-12-18-15/h14-16H,2-13H2,1H3
InChIKeyCRXFAOXVCQPXOP-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methanamine
CID 65160928
N-[[1-[2-(oxolan-2-yl)ethyl]piperidin-3-yl]methyl]propan-1-amine
CID 65161038
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62887699
N-methyl-1-[4-[3-(oxolan-2-yl)propyl]morpholin-3-yl]methanamine
CID 83099650
7-(oxolan-2-yl)-N-propylhept-3-en-1-amine
CID 79592517
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 61386205
N-[[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 81033878
N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 63877750
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine (CID 65161350) is N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCN1CCCC1CCCO1.
What is the InChIKey of N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is CRXFAOXVCQPXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-9-16-13-14-6-3-10-17(14)11-4-7-15-8-5-12-18-15/h14-16H,2-13H2,1H3.
What are the key properties of N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine?
N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65161350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).