1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine

C17H33N — CID 115845637

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine
SMILESCCCC(C)CC(CC1CC2CCC1C2)NCC
InChIInChI=1S/C17H33N/c1-4-6-13(3)9-17(18-5-2)12-16-11-14-7-8-15(16)10-14/h13-18H,4-12H2,1-3H3
InChIKeyOIRGHWJICFNQAG-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds8

About 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine (PubChem CID 115845637) 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-4-methylheptan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine
PubChem CID115845637
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine
SMILESCCCC(C)CC(CC1CC2CCC1C2)NCC
InChIInChI=1S/C17H33N/c1-4-6-13(3)9-17(18-5-2)12-16-11-14-7-8-15(16)10-14/h13-18H,4-12H2,1-3H3
InChIKeyOIRGHWJICFNQAG-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115850124
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)-4-methylhexan-2-yl]hydrazine
CID 105298462
1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine
CID 114977789
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpentan-1-amine
CID 63683470
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
CID 115833241
1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
CID 115831312
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
3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79563243

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine (CID 115845637) is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine is CCCC(C)CC(CC1CC2CCC1C2)NCC.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine?
The InChIKey is OIRGHWJICFNQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-4-6-13(3)9-17(18-5-2)12-16-11-14-7-8-15(16)10-14/h13-18H,4-12H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine has a molecular weight of 251.46 g/mol, XLogP of 4.62, 8 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-4-methylheptan-2-amine is sourced from PubChem (CID 115845637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).