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

C14H28N2 — CID 79555012

IUPAC2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC1CC2CCC1C2)C(C)(C)CN
InChIInChI=1S/C14H28N2/c1-4-16(14(2,3)10-15)9-13-8-11-5-6-12(13)7-11/h11-13H,4-10,15H2,1-3H3
InChIKeySDJJVDNPYYTYLU-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.48
Rot. Bonds5

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

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine (PubChem CID 79555012) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine
PubChem CID79555012
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC1CC2CCC1C2)C(C)(C)CN
InChIInChI=1S/C14H28N2/c1-4-16(14(2,3)10-15)9-13-8-11-5-6-12(13)7-11/h11-13H,4-10,15H2,1-3H3
InChIKeySDJJVDNPYYTYLU-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-N-propylpropane-1,2-diamine
CID 79555098
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,2-dimethylpentane-1,2-diamine
CID 63683439
1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol
CID 79558433
3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine
CID 89222977
2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-methylbutan-1-amine
CID 79554997
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65267300
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
2-[2-bicyclo[2.2.1]heptanylmethyl(ethyl)amino]ethanethioamide
CID 79552563
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 63682697
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine
CID 79554083
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727
3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one
CID 116610786

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine (CID 79555012) is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine is CCN(CC1CC2CCC1C2)C(C)(C)CN.
What is the InChIKey of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine?
The InChIKey is SDJJVDNPYYTYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-16(14(2,3)10-15)9-13-8-11-5-6-12(13)7-11/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine?
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.48, 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)-2-N-ethyl-2-methylpropane-1,2-diamine is sourced from PubChem (CID 79555012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).