N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine

C19H39NO — CID 65165541

IUPACN-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine
SMILESCCCCC(CC)(CCCC1CCCO1)CNC(C)(C)C
InChIInChI=1S/C19H39NO/c1-6-8-13-19(7-2,16-20-18(3,4)5)14-9-11-17-12-10-15-21-17/h17,20H,6-16H2,1-5H3
InChIKeyAUVNPNSAVBTDCU-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.31
Rot. Bonds10

About N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine

N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine (PubChem CID 65165541) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine
PubChem CID65165541
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC NameN-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine
SMILESCCCCC(CC)(CCCC1CCCO1)CNC(C)(C)C
InChIInChI=1S/C19H39NO/c1-6-8-13-19(7-2,16-20-18(3,4)5)14-9-11-17-12-10-15-21-17/h17,20H,6-16H2,1-5H3
InChIKeyAUVNPNSAVBTDCU-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164933
2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65165708
2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
CID 79450832
4-ethyl-1-(oxolan-2-yl)octan-4-amine
CID 65170406
2-ethyl-N-(2-methoxyethyl)-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine
CID 65165599
2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol
CID 79450280
1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol
CID 66037038
N,2-diethyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165208
1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol
CID 66001469
3-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166780
2-tetradecyloxolane
CID 10683364
3-ethyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166782

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine (CID 65165541) is N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine is CCCCC(CC)(CCCC1CCCO1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine?
The InChIKey is AUVNPNSAVBTDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-6-8-13-19(7-2,16-20-18(3,4)5)14-9-11-17-12-10-15-21-17/h17,20H,6-16H2,1-5H3.
What are the key properties of N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine?
N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 5.31, 10 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-[3-(oxolan-2-yl)propyl]hexan-1-amine is sourced from PubChem (CID 65165541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).