N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine

C13H26N2O — CID 106604067

IUPACN-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
SMILESCCCN(CC1CCCN1)C1CCOCC1
InChIInChI=1S/C13H26N2O/c1-2-8-15(11-12-4-3-7-14-12)13-5-9-16-10-6-13/h12-14H,2-11H2,1H3
InChIKeyDIOJAUKNABJCDD-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds5

About N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine

N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine (PubChem CID 106604067) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine.

Molecular Properties

Compound NameN-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
PubChem CID106604067
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
SMILESCCCN(CC1CCCN1)C1CCOCC1
InChIInChI=1S/C13H26N2O/c1-2-8-15(11-12-4-3-7-14-12)13-5-9-16-10-6-13/h12-14H,2-11H2,1H3
InChIKeyDIOJAUKNABJCDD-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 106615997
N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 106615927
3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 107449581
N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 106603889
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106604774
N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979302
4-[propyl(pyrrolidin-2-ylmethyl)amino]azepan-2-one
CID 106615853
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclopentan-1-amine
CID 106604021
N-(2-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]oxolan-3-amine
CID 104870205
N-methyl-N-(pyrrolidin-2-ylmethyl)oxolan-3-amine
CID 82739396

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine?
The IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine (CID 106604067) is N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine.
What is the SMILES notation for N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine?
The canonical SMILES for N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine is CCCN(CC1CCCN1)C1CCOCC1.
What is the InChIKey of N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine?
The InChIKey is DIOJAUKNABJCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-8-15(11-12-4-3-7-14-12)13-5-9-16-10-6-13/h12-14H,2-11H2,1H3.
What are the key properties of N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine?
N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine is sourced from PubChem (CID 106604067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).