2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine

C13H26N2 — CID 82938569

IUPAC2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NCC1CC2CCC1C2
InChIInChI=1S/C13H26N2/c1-10(9-15(2)3)14-8-13-7-11-4-5-12(13)6-11/h10-14H,4-9H2,1-3H3
InChIKeyCDUBCPFSBPXDAR-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.96
Rot. Bonds5

About 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82938569) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82938569
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NCC1CC2CCC1C2
InChIInChI=1S/C13H26N2/c1-10(9-15(2)3)14-8-13-7-11-4-5-12(13)6-11/h10-14H,4-9H2,1-3H3
InChIKeyCDUBCPFSBPXDAR-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 79555022
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine
CID 79552439
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine
CID 104694131
N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine
CID 55232030
(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine
CID 81385495
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide
CID 77027648
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylsulfanylbutan-1-ol
CID 104694028
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfanylbutan-2-amine
CID 104694116
N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79554173
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine
CID 79550151
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 82938569) is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)NCC1CC2CCC1C2.
What is the InChIKey of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is CDUBCPFSBPXDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(9-15(2)3)14-8-13-7-11-4-5-12(13)6-11/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82938569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).