N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine

C13H27NO — CID 10998362

IUPACN-butyl-N-(oxolan-2-ylmethyl)butan-1-amine
SMILESCCCCN(CCCC)CC1CCCO1
InChIInChI=1S/C13H27NO/c1-3-5-9-14(10-6-4-2)12-13-8-7-11-15-13/h13H,3-12H2,1-2H3
InChIKeyIPESHALRBHQFCP-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.07
Rot. Bonds8

About N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine

N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine (PubChem CID 10998362) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(oxolan-2-ylmethyl)butan-1-amine
PubChem CID10998362
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-butyl-N-(oxolan-2-ylmethyl)butan-1-amine
SMILESCCCCN(CCCC)CC1CCCO1
InChIInChI=1S/C13H27NO/c1-3-5-9-14(10-6-4-2)12-13-8-7-11-15-13/h13H,3-12H2,1-2H3
InChIKeyIPESHALRBHQFCP-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trimethyl-[[(2S,5S)-5-methyloxolan-2-yl]methyl]azanium
CID 10103411
N-(oxolan-2-ylmethyl)butan-1-amine
CID 263177
Ammonium, (tetrahydrofurfuryl)trimethyl-, iodide
CID 40309
(2-Aminoethyl)(methyl)((oxolan-2-yl)methyl)amine
CID 43373754
(2S,4R,5S)-4-Fluorotetrahydro-N,N,N,5-tetramethyl-2-furanmethanaminium
CID 195699
[(2S,5S)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 9990216
[(2R,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
CID 15930132
1-(2-Tetrahydrofurylmethyl)piperidine
CID 566526
Tetrahydrofurfuryl-N,N-dimethylamine
CID 3015510
4-Deoxy-4-fluoromuscarine
CID 195698
[(2R,5S)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10442649
[(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10495976

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine?
The IUPAC name of N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine (CID 10998362) is N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine is CCCCN(CCCC)CC1CCCO1.
What is the InChIKey of N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine?
The InChIKey is IPESHALRBHQFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-9-14(10-6-4-2)12-13-8-7-11-15-13/h13H,3-12H2,1-2H3.
What are the key properties of N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine?
N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 10998362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).