2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine

C16H30N2 — CID 114096311

IUPAC2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine
SMILESCC(C)(C)CC(CN)CNC1C2C3CCC(C3)C12
InChIInChI=1S/C16H30N2/c1-16(2,3)7-10(8-17)9-18-15-13-11-4-5-12(6-11)14(13)15/h10-15,18H,4-9,17H2,1-3H3
InChIKeyJRZJJVODRJYTFE-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.63
Rot. Bonds5

About 2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine

2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine (PubChem CID 114096311) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine
PubChem CID114096311
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine
SMILESCC(C)(C)CC(CN)CNC1C2C3CCC(C3)C12
InChIInChI=1S/C16H30N2/c1-16(2,3)7-10(8-17)9-18-15-13-11-4-5-12(6-11)14(13)15/h10-15,18H,4-9,17H2,1-3H3
InChIKeyJRZJJVODRJYTFE-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine?
The IUPAC name of 2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine (CID 114096311) is 2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine is CC(C)(C)CC(CN)CNC1C2C3CCC(C3)C12.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine?
The InChIKey is JRZJJVODRJYTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-16(2,3)7-10(8-17)9-18-15-13-11-4-5-12(6-11)14(13)15/h10-15,18H,4-9,17H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine?
2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine has a molecular weight of 250.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N'-(3-tricyclo[3.2.1.02,4]octanyl)propane-1,3-diamine is sourced from PubChem (CID 114096311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).