N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine

C13H27NO — CID 115726723

IUPACN-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCC1CCOC1C(C)C
InChIInChI=1S/C13H27NO/c1-5-12(6-2)14-9-11-7-8-15-13(11)10(3)4/h10-14H,5-9H2,1-4H3
InChIKeyXJUGBNZLAGRBTK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine

N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine (PubChem CID 115726723) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine
PubChem CID115726723
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCC1CCOC1C(C)C
InChIInChI=1S/C13H27NO/c1-5-12(6-2)14-9-11-7-8-15-13(11)10(3)4/h10-14H,5-9H2,1-4H3
InChIKeyXJUGBNZLAGRBTK-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine hydrochloride
CID 53621896
N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine
CID 93468164
N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 53621897
(2S)-4-(1-fluoroethoxymethyl)-2-propan-2-ylpyrrolidine
CID 132093745
N-ethyl-3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine
CID 63563043
3,3,3-trifluoro-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 63563044
3,3,3-trifluoro-1-(oxolan-3-yl)-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103311934
N-ethyl-4,4,4-trifluoro-1-(2-methyloxolan-3-yl)butan-1-amine
CID 104992865
4,4,4-trifluoro-1-(2-methyloxolan-3-yl)-N-propylbutan-1-amine
CID 104992911
4,4,4-trifluoro-1-(5-methyloxolan-3-yl)-N-propylbutan-1-amine
CID 104992977
N-ethyl-4,4,4-trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine
CID 104992978
4,4,4-trifluoro-N-methyl-1-(5-methyloxolan-3-yl)butan-1-amine
CID 104992979

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine?
The IUPAC name of N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine (CID 115726723) is N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine?
The canonical SMILES for N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine is CCC(CC)NCC1CCOC1C(C)C.
What is the InChIKey of N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine?
The InChIKey is XJUGBNZLAGRBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-12(6-2)14-9-11-7-8-15-13(11)10(3)4/h10-14H,5-9H2,1-4H3.
What are the key properties of N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine?
N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine is sourced from PubChem (CID 115726723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).