3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine

C17H39N3 — CID 103189561

IUPAC3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine
SMILESCCN(CCCC(CCN)C(C)(C)C)C(C)CN(C)C
InChIInChI=1S/C17H39N3/c1-8-20(15(2)14-19(6)7)13-9-10-16(11-12-18)17(3,4)5/h15-16H,8-14,18H2,1-7H3
InChIKeyTZJUIFWRQMBZAC-UHFFFAOYSA-N
MW285.52 g/mol
LogP3.05
Rot. Bonds10

About 3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine

3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine (PubChem CID 103189561) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is 3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine.

Molecular Properties

Compound Name3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine
PubChem CID103189561
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC Name3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine
SMILESCCN(CCCC(CCN)C(C)(C)C)C(C)CN(C)C
InChIInChI=1S/C17H39N3/c1-8-20(15(2)14-19(6)7)13-9-10-16(11-12-18)17(3,4)5/h15-16H,8-14,18H2,1-7H3
InChIKeyTZJUIFWRQMBZAC-UHFFFAOYSA-N
XLogP3.05
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine?
The IUPAC name of 3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine (CID 103189561) is 3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine.
What is the SMILES notation for 3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine?
The canonical SMILES for 3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine is CCN(CCCC(CCN)C(C)(C)C)C(C)CN(C)C.
What is the InChIKey of 3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine?
The InChIKey is TZJUIFWRQMBZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-8-20(15(2)14-19(6)7)13-9-10-16(11-12-18)17(3,4)5/h15-16H,8-14,18H2,1-7H3.
What are the key properties of 3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine?
3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine has a molecular weight of 285.52 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine is sourced from PubChem (CID 103189561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).