2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine

C18H35N — CID 79563101

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)CC1CC2CCC1C2
InChIInChI=1S/C18H35N/c1-6-9-18(5,13-19-17(2,3)4)12-16-11-14-7-8-15(16)10-14/h14-16,19H,6-13H2,1-5H3
InChIKeyITTYGCFUIBAGRL-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.01
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine

2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine (PubChem CID 79563101) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine
PubChem CID79563101
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)CC1CC2CCC1C2
InChIInChI=1S/C18H35N/c1-6-9-18(5,13-19-17(2,3)4)12-16-11-14-7-8-15(16)10-14/h14-16,19H,6-13H2,1-5H3
InChIKeyITTYGCFUIBAGRL-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine
CID 79563423
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
CID 79550101
N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine
CID 79563092
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine
CID 62260271
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794
3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine
CID 89222977
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol
CID 79549926
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 63682697
N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine
CID 79184023
1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol
CID 79558507

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine (CID 79563101) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine is CCCC(C)(CNC(C)(C)C)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine?
The InChIKey is ITTYGCFUIBAGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-6-9-18(5,13-19-17(2,3)4)12-16-11-14-7-8-15(16)10-14/h14-16,19H,6-13H2,1-5H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine?
2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine is sourced from PubChem (CID 79563101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).