N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine

C15H31NO — CID 81020024

IUPACN-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine
SMILESCC(CCCC1CCCO1)CCNC(C)(C)C
InChIInChI=1S/C15H31NO/c1-13(10-11-16-15(2,3)4)7-5-8-14-9-6-12-17-14/h13-14,16H,5-12H2,1-4H3
InChIKeyUZFAQQFVYOQMGZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds7

About N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine

N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine (PubChem CID 81020024) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine
PubChem CID81020024
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine
SMILESCC(CCCC1CCCO1)CCNC(C)(C)C
InChIInChI=1S/C15H31NO/c1-13(10-11-16-15(2,3)4)7-5-8-14-9-6-12-17-14/h13-14,16H,5-12H2,1-4H3
InChIKeyUZFAQQFVYOQMGZ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220
N-tert-butyl-7-(oxolan-2-yl)hept-3-en-1-amine
CID 79598771
2-(5-chloro-4-methylpentyl)oxolane
CID 65165310
1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol
CID 66001469
1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 62436071
N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine
CID 104856051
4-methyl-7-(oxolan-2-yl)heptan-2-amine
CID 65164978
N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine
CID 55077844
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine (CID 81020024) is N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine is CC(CCCC1CCCO1)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine?
The InChIKey is UZFAQQFVYOQMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-13(10-11-16-15(2,3)4)7-5-8-14-9-6-12-17-14/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine?
N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine is sourced from PubChem (CID 81020024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).