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

C13H28N2 — CID 63879427

IUPAC2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(C)(CN)N(C)CC1CC1C
InChIInChI=1S/C13H28N2/c1-10(2)7-13(4,9-14)15(5)8-12-6-11(12)3/h10-12H,6-9,14H2,1-5H3
InChIKeyAIEKZEHOSGYSCO-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.34
Rot. Bonds6

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

2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine (PubChem CID 63879427) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine
PubChem CID63879427
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(C)(CN)N(C)CC1CC1C
InChIInChI=1S/C13H28N2/c1-10(2)7-13(4,9-14)15(5)8-12-6-11(12)3/h10-12H,6-9,14H2,1-5H3
InChIKeyAIEKZEHOSGYSCO-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine?
The IUPAC name of 2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine (CID 63879427) is 2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine?
The canonical SMILES for 2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine is CC(C)CC(C)(CN)N(C)CC1CC1C.
What is the InChIKey of 2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine?
The InChIKey is AIEKZEHOSGYSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)7-13(4,9-14)15(5)8-12-6-11(12)3/h10-12H,6-9,14H2,1-5H3.
What are the key properties of 2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine?
2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 63879427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).