6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine

C16H36N2 — CID 82922453

IUPAC6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine
SMILESCCCNC(CC(CC)CC)C(C)(CC)N(C)C
InChIInChI=1S/C16H36N2/c1-8-12-17-15(13-14(9-2)10-3)16(5,11-4)18(6)7/h14-15,17H,8-13H2,1-7H3
InChIKeyLXWUZWLMEQDMJD-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.91
Rot. Bonds10

About 6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine

6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine (PubChem CID 82922453) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine.

Molecular Properties

Compound Name6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine
PubChem CID82922453
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine
SMILESCCCNC(CC(CC)CC)C(C)(CC)N(C)C
InChIInChI=1S/C16H36N2/c1-8-12-17-15(13-14(9-2)10-3)16(5,11-4)18(6)7/h14-15,17H,8-13H2,1-7H3
InChIKeyLXWUZWLMEQDMJD-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-N,2-N,2-trimethyl-3-N-propylheptane-2,3-diamine
CID 82922907
5-ethyl-2,2-dimethyl-N-propylheptan-3-amine
CID 82923495
3-N,3-N,3-trimethyl-7-phenyl-4-N-propylheptane-3,4-diamine
CID 79057538
1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063170
1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine
CID 79064110
3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine
CID 107049844
6-ethyl-2,2-dimethyl-N-propyloctan-4-amine
CID 82923150
1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79064609
2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine
CID 79057289
4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine
CID 79057264
3-ethyl-3-N,3-N-dimethyl-4-N-propyloctane-3,4-diamine
CID 79061055
3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine
CID 79058558

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine?
The IUPAC name of 6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine (CID 82922453) is 6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine.
What is the SMILES notation for 6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine?
The canonical SMILES for 6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine is CCCNC(CC(CC)CC)C(C)(CC)N(C)C.
What is the InChIKey of 6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine?
The InChIKey is LXWUZWLMEQDMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-8-12-17-15(13-14(9-2)10-3)16(5,11-4)18(6)7/h14-15,17H,8-13H2,1-7H3.
What are the key properties of 6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine?
6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine is sourced from PubChem (CID 82922453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).