N,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine

C13H27NO — CID 63891515

IUPACN,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine
SMILESCNC(CC1CCOCC1)CC(C)(C)C
InChIInChI=1S/C13H27NO/c1-13(2,3)10-12(14-4)9-11-5-7-15-8-6-11/h11-12,14H,5-10H2,1-4H3
InChIKeySJJOTUMZIKQONA-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds4

About N,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine

N,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine (PubChem CID 63891515) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine
PubChem CID63891515
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine
SMILESCNC(CC1CCOCC1)CC(C)(C)C
InChIInChI=1S/C13H27NO/c1-13(2,3)10-12(14-4)9-11-5-7-15-8-6-11/h11-12,14H,5-10H2,1-4H3
InChIKeySJJOTUMZIKQONA-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

N-methyl-1-(oxan-4-yl)hexan-2-amine
CID 79404472
N-methyl-1-(oxan-4-yl)hexan-3-amine
CID 62386806
1-cyclohexyl-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987113
3,3-dimethyl-1-(oxan-4-yl)butan-1-ol
CID 63937877
1-cyclopentyl-4,4,4-trifluoro-N-methylbutan-2-amine
CID 62603326
2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 115855813
1-cyclobutyl-N-methyl-2-(oxan-4-yl)ethanamine
CID 64986800
N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79055647
3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
CID 62606524
N-methyl-1-(oxolan-3-yl)pent-4-en-2-amine
CID 103986920
1-cyclobutyl-N,5,5-trimethylhexan-2-amine
CID 103168554
1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine
CID 66142608

Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine?
The IUPAC name of N,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine (CID 63891515) is N,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine.
What is the SMILES notation for N,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine?
The canonical SMILES for N,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine is CNC(CC1CCOCC1)CC(C)(C)C.
What is the InChIKey of N,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine?
The InChIKey is SJJOTUMZIKQONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,3)10-12(14-4)9-11-5-7-15-8-6-11/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine?
N,4,4-trimethyl-1-(oxan-4-yl)pentan-2-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-4-yl)pentan-2-amine is sourced from PubChem (CID 63891515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).