N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine

C13H27NO — CID 65332134

IUPACN,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine
SMILESCNC(CCC(C)(C)C)C1CCCOC1
InChIInChI=1S/C13H27NO/c1-13(2,3)8-7-12(14-4)11-6-5-9-15-10-11/h11-12,14H,5-10H2,1-4H3
InChIKeyFKWASYWMVWNMST-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds4

About N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine

N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine (PubChem CID 65332134) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine
PubChem CID65332134
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine
SMILESCNC(CCC(C)(C)C)C1CCCOC1
InChIInChI=1S/C13H27NO/c1-13(2,3)8-7-12(14-4)11-6-5-9-15-10-11/h11-12,14H,5-10H2,1-4H3
InChIKeyFKWASYWMVWNMST-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine
CID 107139365
4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine
CID 65332408
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136522
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136499
N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine
CID 65330358
N,4,4-trimethyl-1-(2-methylcyclopentyl)pentan-1-amine
CID 107188477
N-ethyl-3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
CID 107138800
[5,5,5-trifluoro-1-(oxan-3-yl)pentyl]hydrazine
CID 105229920
3-(ethylamino)-3-(oxan-3-yl)propan-1-ol
CID 65239845
N-ethyl-1-(oxan-3-yl)pentan-1-amine
CID 65331760
N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine
CID 107138713
5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 113327066

Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine?
The IUPAC name of N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine (CID 65332134) is N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine.
What is the SMILES notation for N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine?
The canonical SMILES for N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine is CNC(CCC(C)(C)C)C1CCCOC1.
What is the InChIKey of N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine?
The InChIKey is FKWASYWMVWNMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,3)8-7-12(14-4)11-6-5-9-15-10-11/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine?
N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine is sourced from PubChem (CID 65332134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).