N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

C15H26N2 — CID 129428929

IUPACN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESC[C@@H](NC1=NCCCCC1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C15H26N2/c1-11(14-10-12-6-7-13(14)9-12)17-15-5-3-2-4-8-16-15/h11-14H,2-10H2,1H3,(H,16,17)/t11-,12+,13+,14-/m1/s1
InChIKeyYJDAHORVRRGPGJ-ZOBORPQBSA-N
MW234.39 g/mol
LogP3.37
Rot. Bonds2

About N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 129428929) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID129428929
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESC[C@@H](NC1=NCCCCC1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C15H26N2/c1-11(14-10-12-6-7-13(14)9-12)17-15-5-3-2-4-8-16-15/h11-14H,2-10H2,1H3,(H,16,17)/t11-,12+,13+,14-/m1/s1
InChIKeyYJDAHORVRRGPGJ-ZOBORPQBSA-N
XLogP3.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 62870256
N-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 81385779
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine
CID 112703061
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 124828152
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine
CID 98119580
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylcyclohexane-1-carboxamide
CID 98126823
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylcyclohexane-1-carboxamide
CID 98219100
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine
CID 43115419
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 82066587
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982157
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64594055
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine
CID 43098628

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 129428929) is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is C[C@@H](NC1=NCCCCC1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is YJDAHORVRRGPGJ-ZOBORPQBSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(14-10-12-6-7-13(14)9-12)17-15-5-3-2-4-8-16-15/h11-14H,2-10H2,1H3,(H,16,17)/t11-,12+,13+,14-/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 234.39 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 129428929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).