1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine

C17H33N — CID 115850124

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine
SMILESCCNC(CCC(C)(C)C)CC1CC2CCC1C2
InChIInChI=1S/C17H33N/c1-5-18-16(8-9-17(2,3)4)12-15-11-13-6-7-14(15)10-13/h13-16,18H,5-12H2,1-4H3
InChIKeyPZZZAUWEOWOWGY-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine (PubChem CID 115850124) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine
PubChem CID115850124
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine
SMILESCCNC(CCC(C)(C)C)CC1CC2CCC1C2
InChIInChI=1S/C17H33N/c1-5-18-16(8-9-17(2,3)4)12-15-11-13-6-7-14(15)10-13/h13-16,18H,5-12H2,1-4H3
InChIKeyPZZZAUWEOWOWGY-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 113291286
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine
CID 79563313
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine
CID 115845637
1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine
CID 114977789
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 79562228
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864331
1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine
CID 104987608
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine
CID 105012693
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
CID 115831312
1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
CID 115833241
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 104988995

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine (CID 115850124) is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine is CCNC(CCC(C)(C)C)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine?
The InChIKey is PZZZAUWEOWOWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-5-18-16(8-9-17(2,3)4)12-15-11-13-6-7-14(15)10-13/h13-16,18H,5-12H2,1-4H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine has a molecular weight of 251.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 115850124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).