3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine

C13H27NO — CID 65328870

IUPAC3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)C1CCCO1
InChIInChI=1S/C13H27NO/c1-4-8-14-12(10-11(3)5-2)13-7-6-9-15-13/h11-14H,4-10H2,1-3H3
InChIKeyUCXMHONPYGGVCJ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About 3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine

3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine (PubChem CID 65328870) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
PubChem CID65328870
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)C1CCCO1
InChIInChI=1S/C13H27NO/c1-4-8-14-12(10-11(3)5-2)13-7-6-9-15-13/h11-14H,4-10H2,1-3H3
InChIKeyUCXMHONPYGGVCJ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 82923076
3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine
CID 114201822
1-(oxolan-2-yl)-N-propylnonan-1-amine
CID 65328476
1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine
CID 114104266
3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 66037811
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
2-(ethylamino)-2-(oxolan-2-yl)ethanol
CID 82838374
N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328260
3-methyl-1-(4-methylmorpholin-2-yl)-N-propylhexan-1-amine
CID 79093366
N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328765
N-[1,3-bis(oxan-2-yl)butyl]-1,3-bis(oxan-2-yl)butan-1-amine
CID 173131029

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine (CID 65328870) is 3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine is CCCNC(CC(C)CC)C1CCCO1.
What is the InChIKey of 3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine?
The InChIKey is UCXMHONPYGGVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-8-14-12(10-11(3)5-2)13-7-6-9-15-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine?
3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 65328870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).