N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine

C15H31NO — CID 116521320

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCC1CCC(C)(C)O1
InChIInChI=1S/C15H31NO/c1-5-6-7-8-9-13(2)16-12-14-10-11-15(3,4)17-14/h13-14,16H,5-12H2,1-4H3
InChIKeyBFHDWMKPFABZME-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.89
Rot. Bonds8

About N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine

N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine (PubChem CID 116521320) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine
PubChem CID116521320
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCC1CCC(C)(C)O1
InChIInChI=1S/C15H31NO/c1-5-6-7-8-9-13(2)16-12-14-10-11-15(3,4)17-14/h13-14,16H,5-12H2,1-4H3
InChIKeyBFHDWMKPFABZME-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine
CID 116521359
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine
CID 116521074
4-(5,5-dimethyloxolan-2-yl)-N-propylbutan-2-amine
CID 116522567
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278
N-(cyclobutylmethyl)octan-2-amine
CID 43298239
N-[(4-methylcyclohexyl)methyl]nonan-2-amine
CID 63464065
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
1-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]pentan-3-amine
CID 116524076
1-(5,5-dimethyloxolan-2-yl)-N-ethylpropan-2-amine
CID 116524133
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889526
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 116521719
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine
CID 43130020

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine (CID 116521320) is N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine is CCCCCCC(C)NCC1CCC(C)(C)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine?
The InChIKey is BFHDWMKPFABZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-6-7-8-9-13(2)16-12-14-10-11-15(3,4)17-14/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine is sourced from PubChem (CID 116521320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).