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

C15H30N2 — CID 79555022

IUPAC2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NCC1CC2CCC1C2
InChIInChI=1S/C15H30N2/c1-4-17(5-2)11-12(3)16-10-15-9-13-6-7-14(15)8-13/h12-16H,4-11H2,1-3H3
InChIKeyIOUHHHIIXMFTHB-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.74
Rot. Bonds7

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

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 79555022) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID79555022
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NCC1CC2CCC1C2
InChIInChI=1S/C15H30N2/c1-4-17(5-2)11-12(3)16-10-15-9-13-6-7-14(15)8-13/h12-16H,4-11H2,1-3H3
InChIKeyIOUHHHIIXMFTHB-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.74
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-dimethylpropane-1,2-diamine
CID 82938569
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine
CID 79552439
N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine
CID 55232030
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine
CID 104694131
(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine
CID 81385495
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfanylbutan-2-amine
CID 104694116
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(diethylamino)propan-2-ol
CID 60710698
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)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79554173
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpentan-1-amine
CID 63683470
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine (CID 79555022) is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine is CCN(CC)CC(C)NCC1CC2CCC1C2.
What is the InChIKey of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is IOUHHHIIXMFTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-17(5-2)11-12(3)16-10-15-9-13-6-7-14(15)8-13/h12-16H,4-11H2,1-3H3.
What are the key properties of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine?
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.74, 7 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-diethylpropane-1,2-diamine is sourced from PubChem (CID 79555022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).