N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine

C15H30N2 — CID 63683794

IUPACN'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)CC1CC2CCC1C2
InChIInChI=1S/C15H30N2/c1-15(2,3)16-7-8-17(4)11-14-10-12-5-6-13(14)9-12/h12-14,16H,5-11H2,1-4H3
InChIKeyZBBLIEMRTVNKDN-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.74
Rot. Bonds5

About N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine

N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine (PubChem CID 63683794) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
PubChem CID63683794
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)CC1CC2CCC1C2
InChIInChI=1S/C15H30N2/c1-15(2,3)16-7-8-17(4)11-14-10-12-5-6-13(14)9-12/h12-14,16H,5-11H2,1-4H3
InChIKeyZBBLIEMRTVNKDN-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55233639
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 55232044
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-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63685539
N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine
CID 79563092
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63682707
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile
CID 63683776
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile
CID 63681653
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65267300
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,1-dioxothiolan-3-yl)-N'-methylethane-1,2-diamine
CID 63682211
methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate
CID 63682513

Frequently Asked Questions

What is the IUPAC name of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine (CID 63683794) is N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine is CN(CCNC(C)(C)C)CC1CC2CCC1C2.
What is the InChIKey of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine?
The InChIKey is ZBBLIEMRTVNKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-15(2,3)16-7-8-17(4)11-14-10-12-5-6-13(14)9-12/h12-14,16H,5-11H2,1-4H3.
What are the key properties of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine?
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63683794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).