3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine

C18H40N2 — CID 79068123

IUPAC3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine
SMILESCCCC(C)CC(NCC)C(CC)(CC)N(CC)CC
InChIInChI=1S/C18H40N2/c1-8-14-16(7)15-17(19-11-4)18(9-2,10-3)20(12-5)13-6/h16-17,19H,8-15H2,1-7H3
InChIKeyPICMTYPGKATEFU-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.69
Rot. Bonds12

About 3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine

3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine (PubChem CID 79068123) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is 3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine
PubChem CID79068123
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Name3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine
SMILESCCCC(C)CC(NCC)C(CC)(CC)N(CC)CC
InChIInChI=1S/C18H40N2/c1-8-14-16(7)15-17(19-11-4)18(9-2,10-3)20(12-5)13-6/h16-17,19H,8-15H2,1-7H3
InChIKeyPICMTYPGKATEFU-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N,3-N,3-triethyl-4-N-propylheptane-3,4-diamine
CID 79067168
3-N,3-N,4-N,3-tetraethyloct-7-yne-3,4-diamine
CID 79067252
N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine
CID 79055735
3-N,3-N,3-triethyl-4-N-propylnon-8-ene-3,4-diamine
CID 79067335
3-N,3-N,3-triethyl-4-N-methylnon-8-ene-3,4-diamine
CID 79068358
3-(diethylamino)-3,6-dimethylnonan-4-ol
CID 79063814
4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine
CID 79062661
2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
CID 79825166
N-ethyl-2,3,6-trimethylnonan-4-amine
CID 115845744
N-ethyl-3,3,6-trimethyloctan-4-amine
CID 115846245
3-N,3-N,3-triethyloctane-3,4-diamine
CID 79061661
2,5-dimethyl-2-methylsulfonyl-N-propyloctan-3-amine
CID 115845249

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine?
The IUPAC name of 3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine (CID 79068123) is 3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine.
What is the SMILES notation for 3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine?
The canonical SMILES for 3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine is CCCC(C)CC(NCC)C(CC)(CC)N(CC)CC.
What is the InChIKey of 3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine?
The InChIKey is PICMTYPGKATEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-8-14-16(7)15-17(19-11-4)18(9-2,10-3)20(12-5)13-6/h16-17,19H,8-15H2,1-7H3.
What are the key properties of 3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine?
3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.69, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-N,3-tetraethyl-6-methylnonane-3,4-diamine is sourced from PubChem (CID 79068123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).