N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine

C13H27NO — CID 62725215

IUPACN,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine
SMILESCCCC(C)(CNC)CC1CCOCC1
InChIInChI=1S/C13H27NO/c1-4-7-13(2,11-14-3)10-12-5-8-15-9-6-12/h12,14H,4-11H2,1-3H3
InChIKeyYPYDTLGXQXPLSV-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine

N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine (PubChem CID 62725215) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine
PubChem CID62725215
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine
SMILESCCCC(C)(CNC)CC1CCOCC1
InChIInChI=1S/C13H27NO/c1-4-7-13(2,11-14-3)10-12-5-8-15-9-6-12/h12,14H,4-11H2,1-3H3
InChIKeyYPYDTLGXQXPLSV-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

2-(cyclopentylmethyl)-N-ethyl-2-methylpentan-1-amine
CID 63507341
2-methyl-2-(oxan-4-ylmethyl)butan-1-ol
CID 66058541
4-[2-(bromomethyl)-2-methylbutyl]oxane
CID 66050045
2-(cyclopentylmethyl)-2-methyl-N-propylpentan-1-amine
CID 63508725
2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine
CID 55107237
N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine
CID 63713052
N,2-dimethyl-4-(oxan-4-yl)butan-2-amine
CID 84660262
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(oxan-4-ylmethyl)pentanoic acid
CID 106488403
4-(2-methylpentan-2-yl)oxane
CID 129015452
N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine
CID 81033927
N-tert-butyl-2-cyclopropyl-2-methyl-3-(oxan-4-yl)propan-1-amine
CID 83160445

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine?
The IUPAC name of N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine (CID 62725215) is N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine?
The canonical SMILES for N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine is CCCC(C)(CNC)CC1CCOCC1.
What is the InChIKey of N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine?
The InChIKey is YPYDTLGXQXPLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-13(2,11-14-3)10-12-5-8-15-9-6-12/h12,14H,4-11H2,1-3H3.
What are the key properties of N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine?
N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-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-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine is sourced from PubChem (CID 62725215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).