2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine

C15H29N — CID 79563423

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)CC1CC2CCC1C2
InChIInChI=1S/C15H29N/c1-4-15(3,11-16-5-2)10-14-9-12-6-7-13(14)8-12/h12-14,16H,4-11H2,1-3H3
InChIKeyDITPRMUXZVJQMS-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.84
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine

2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine (PubChem CID 79563423) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine
PubChem CID79563423
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)CC1CC2CCC1C2
InChIInChI=1S/C15H29N/c1-4-15(3,11-16-5-2)10-14-9-12-6-7-13(14)8-12/h12-14,16H,4-11H2,1-3H3
InChIKeyDITPRMUXZVJQMS-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
CID 79550101
2-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-2-methylpentan-1-amine
CID 79563101
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol
CID 79549926
3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine
CID 89222977
(2R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-methylpropanal
CID 124526830
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79558530
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103890790
3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one
CID 116610786
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552
3-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentan-2-one
CID 116592595
1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
CID 79550552

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine (CID 79563423) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine is CCNCC(C)(CC)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is DITPRMUXZVJQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-4-15(3,11-16-5-2)10-14-9-12-6-7-13(14)8-12/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine?
2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 3.84, 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-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 79563423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).