2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine

C18H32N2 — CID 43094406

IUPAC2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine
SMILESCc1cc(C)c(CNCC(CC(C)C)N(C)C)c(C)c1
InChIInChI=1S/C18H32N2/c1-13(2)8-17(20(6)7)11-19-12-18-15(4)9-14(3)10-16(18)5/h9-10,13,17,19H,8,11-12H2,1-7H3
InChIKeyOAXNRBGSVKSCKB-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.68
Rot. Bonds7

About 2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine

2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine (PubChem CID 43094406) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine
PubChem CID43094406
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine
SMILESCc1cc(C)c(CNCC(CC(C)C)N(C)C)c(C)c1
InChIInChI=1S/C18H32N2/c1-13(2)8-17(20(6)7)11-19-12-18-15(4)9-14(3)10-16(18)5/h9-10,13,17,19H,8,11-12H2,1-7H3
InChIKeyOAXNRBGSVKSCKB-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine?
The IUPAC name of 2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine (CID 43094406) is 2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine?
The canonical SMILES for 2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine is Cc1cc(C)c(CNCC(CC(C)C)N(C)C)c(C)c1.
What is the InChIKey of 2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine?
The InChIKey is OAXNRBGSVKSCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-13(2)8-17(20(6)7)11-19-12-18-15(4)9-14(3)10-16(18)5/h9-10,13,17,19H,8,11-12H2,1-7H3.
What are the key properties of 2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine?
2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 43094406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).