3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine

C19H36N2 — CID 79561099

IUPAC3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
SMILESCNC(CC1CC2CCC1C2)C(C)(C)N1CCCCCC1
InChIInChI=1S/C19H36N2/c1-19(2,21-10-6-4-5-7-11-21)18(20-3)14-17-13-15-8-9-16(17)12-15/h15-18,20H,4-14H2,1-3H3
InChIKeyDYOHLGZSNADSEE-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.06
Rot. Bonds5

About 3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine

3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine (PubChem CID 79561099) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
PubChem CID79561099
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
SMILESCNC(CC1CC2CCC1C2)C(C)(C)N1CCCCCC1
InChIInChI=1S/C19H36N2/c1-19(2,21-10-6-4-5-7-11-21)18(20-3)14-17-13-15-8-9-16(17)12-15/h15-18,20H,4-14H2,1-3H3
InChIKeyDYOHLGZSNADSEE-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241237
3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine
CID 79050954
1-cyclopentyl-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 79045410
1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79559304
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79558705
2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine
CID 83161902
2-(azepan-1-yl)-N,2,6,6-tetramethylheptan-3-amine
CID 79052542
[1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-morpholin-4-ylpentan-2-yl]hydrazine
CID 105241599
2-(azepan-1-yl)-N,2-dimethylhept-6-en-3-amine
CID 79050662
N,2-dimethyl-2-piperidin-1-ylheptan-3-amine
CID 79045929
3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79563243
(1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-yl)hydrazine
CID 105239761

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine?
The IUPAC name of 3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine (CID 79561099) is 3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for 3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine is CNC(CC1CC2CCC1C2)C(C)(C)N1CCCCCC1.
What is the InChIKey of 3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine?
The InChIKey is DYOHLGZSNADSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-19(2,21-10-6-4-5-7-11-21)18(20-3)14-17-13-15-8-9-16(17)12-15/h15-18,20H,4-14H2,1-3H3.
What are the key properties of 3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine?
3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine has a molecular weight of 292.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 79561099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).