3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine

C14H28N2 — CID 63681872

IUPAC3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCNCCC(C)N(C)CC1CC2CCC1C2
InChIInChI=1S/C14H28N2/c1-11(6-7-15-2)16(3)10-14-9-12-4-5-13(14)8-12/h11-15H,4-10H2,1-3H3
InChIKeyGZTIBFPUIBZNTF-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.35
Rot. Bonds6

About 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine

3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine (PubChem CID 63681872) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine
PubChem CID63681872
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCNCCC(C)N(C)CC1CC2CCC1C2
InChIInChI=1S/C14H28N2/c1-11(6-7-15-2)16(3)10-14-9-12-4-5-13(14)8-12/h11-15H,4-10H2,1-3H3
InChIKeyGZTIBFPUIBZNTF-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-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

3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine
CID 63682552
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 63681876
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 63682556
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine
CID 55231633
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-N'-propylethane-1,2-diamine
CID 79551627
ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate
CID 63683321
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63683279
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide
CID 63683483
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727728
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 63683963
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 63681849
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide
CID 63682682

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine (CID 63681872) is 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine is CNCCC(C)N(C)CC1CC2CCC1C2.
What is the InChIKey of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The InChIKey is GZTIBFPUIBZNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(6-7-15-2)16(3)10-14-9-12-4-5-13(14)8-12/h11-15H,4-10H2,1-3H3.
What are the key properties of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 63681872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).