N,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine

C16H34N2 — CID 129230490

IUPACN,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine
SMILESC=C(N(C)CCCN(C)C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C16H34N2/c1-14(16(5,6)13-15(2,3)4)18(9)12-10-11-17(7)8/h1,10-13H2,2-9H3
InChIKeyAZLNJCVUSBEZEY-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.85
Rot. Bonds7

About N,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine

N,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine (PubChem CID 129230490) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine
PubChem CID129230490
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine
SMILESC=C(N(C)CCCN(C)C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C16H34N2/c1-14(16(5,6)13-15(2,3)4)18(9)12-10-11-17(7)8/h1,10-13H2,2-9H3
InChIKeyAZLNJCVUSBEZEY-UHFFFAOYSA-N
XLogP3.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine (CID 129230490) is N,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine is C=C(N(C)CCCN(C)C)C(C)(C)CC(C)(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine?
The InChIKey is AZLNJCVUSBEZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-14(16(5,6)13-15(2,3)4)18(9)12-10-11-17(7)8/h1,10-13H2,2-9H3.
What are the key properties of N,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine?
N,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(3,3,5,5-tetramethylhex-1-en-2-yl)propane-1,3-diamine is sourced from PubChem (CID 129230490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).