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

C13H27NO — CID 103987457

IUPAC3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(CC1CCOC1)C(C)CC
InChIInChI=1S/C13H27NO/c1-4-7-14-13(11(3)5-2)9-12-6-8-15-10-12/h11-14H,4-10H2,1-3H3
InChIKeyCWTANNPNFQLEEF-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds7

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

3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine (PubChem CID 103987457) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine
PubChem CID103987457
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(CC1CCOC1)C(C)CC
InChIInChI=1S/C13H27NO/c1-4-7-14-13(11(3)5-2)9-12-6-8-15-10-12/h11-14H,4-10H2,1-3H3
InChIKeyCWTANNPNFQLEEF-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine
CID 113362206
N-[2-(oxolan-3-yl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 103987493
4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine
CID 114982647
6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine
CID 103987551
1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987520
N-[1-(furan-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987494
N-[1-(2,3-dihydrofuran-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 102652133
N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987410
1-(oxan-4-yl)-3-phenyl-N-propylpentan-2-amine
CID 115846790
3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine
CID 62485593
N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine
CID 103987176
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine?
The IUPAC name of 3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine (CID 103987457) is 3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine?
The canonical SMILES for 3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine is CCCNC(CC1CCOC1)C(C)CC.
What is the InChIKey of 3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine?
The InChIKey is CWTANNPNFQLEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-14-13(11(3)5-2)9-12-6-8-15-10-12/h11-14H,4-10H2,1-3H3.
What are the key properties of 3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine?
3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 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-3-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 103987457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).