N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine

C12H24N2 — CID 1378401

IUPACN'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C12H24N2/c1-13(2)6-7-14(3)12-9-10-4-5-11(12)8-10/h10-12H,4-9H2,1-3H3/t10-,11+,12+/m1/s1
InChIKeyCXRPUZUAWNUUBV-WOPDTQHZSA-N
MW196.34 g/mol
LogP1.67
Rot. Bonds4

About N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 1378401) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID1378401
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C12H24N2/c1-13(2)6-7-14(3)12-9-10-4-5-11(12)8-10/h10-12H,4-9H2,1-3H3/t10-,11+,12+/m1/s1
InChIKeyCXRPUZUAWNUUBV-WOPDTQHZSA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine (CID 1378401) is N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)[C@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is CXRPUZUAWNUUBV-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H24N2/c1-13(2)6-7-14(3)12-9-10-4-5-11(12)8-10/h10-12H,4-9H2,1-3H3/t10-,11+,12+/m1/s1.
What are the key properties of N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 1378401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).