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

C15H30N2 — CID 79555098

IUPAC2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-N-propylpropane-1,2-diamine
SMILESCCCN(CC1CC2CCC1C2)C(C)(C)CN
InChIInChI=1S/C15H30N2/c1-4-7-17(15(2,3)11-16)10-14-9-12-5-6-13(14)8-12/h12-14H,4-11,16H2,1-3H3
InChIKeyMMCJRQGFKVVBPI-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.87
Rot. Bonds6

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

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-N-propylpropane-1,2-diamine (PubChem CID 79555098) 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)-2-methyl-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-N-propylpropane-1,2-diamine
PubChem CID79555098
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-N-propylpropane-1,2-diamine
SMILESCCCN(CC1CC2CCC1C2)C(C)(C)CN
InChIInChI=1S/C15H30N2/c1-4-7-17(15(2,3)11-16)10-14-9-12-5-6-13(14)8-12/h12-14H,4-11,16H2,1-3H3
InChIKeyMMCJRQGFKVVBPI-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-N-propylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine
CID 79555012
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,2-dimethylpentane-1,2-diamine
CID 63683439
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine
CID 79554083
3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine
CID 89222977
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65267300
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794
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-methyl-N'-propylethane-1,2-diamine
CID 79551627
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63682707
2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-methylbutan-1-amine
CID 79554997
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-N-propylpropane-1,2-diamine (CID 79555098) is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-N-propylpropane-1,2-diamine is CCCN(CC1CC2CCC1C2)C(C)(C)CN.
What is the InChIKey of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-N-propylpropane-1,2-diamine?
The InChIKey is MMCJRQGFKVVBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-7-17(15(2,3)11-16)10-14-9-12-5-6-13(14)8-12/h12-14H,4-11,16H2,1-3H3.
What are the key properties of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-N-propylpropane-1,2-diamine?
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-N-propylpropane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.87, 6 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-methyl-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 79555098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).