N-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine

C18H37NO — CID 103138545

IUPACN-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNC(C)(C)C)CC1CCC(C)O1
InChIInChI=1S/C18H37NO/c1-7-9-12-18(8-2,14-19-17(4,5)6)13-16-11-10-15(3)20-16/h15-16,19H,7-14H2,1-6H3
InChIKeyMDIGETSUYFQMBN-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.92
Rot. Bonds8

About N-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine

N-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine (PubChem CID 103138545) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine
PubChem CID103138545
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNC(C)(C)C)CC1CCC(C)O1
InChIInChI=1S/C18H37NO/c1-7-9-12-18(8-2,14-19-17(4,5)6)13-16-11-10-15(3)20-16/h15-16,19H,7-14H2,1-6H3
InChIKeyMDIGETSUYFQMBN-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol
CID 103132323
N-tert-butyl-2-ethyl-2-propylhexan-1-amine
CID 63507407
N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 65165541
N-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138418
N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine
CID 63509483
tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate
CID 106507460
2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine
CID 55194903
N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine
CID 63509481
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494862
2-methyl-5-octadecyloxolane
CID 167511066
N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164933
N-[(5-methyloxolan-2-yl)methyl]octan-1-amine
CID 82835383

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine (CID 103138545) is N-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine is CCCCC(CC)(CNC(C)(C)C)CC1CCC(C)O1.
What is the InChIKey of N-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine?
The InChIKey is MDIGETSUYFQMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-7-9-12-18(8-2,14-19-17(4,5)6)13-16-11-10-15(3)20-16/h15-16,19H,7-14H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine?
N-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine is sourced from PubChem (CID 103138545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).