6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine

C10H21N3 — CID 130295907

IUPAC6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine
SMILESCC1(N)CNCC2NCCCC2C1
InChIInChI=1S/C10H21N3/c1-10(11)5-8-3-2-4-13-9(8)6-12-7-10/h8-9,12-13H,2-7,11H2,1H3
InChIKeyIQEFYBBHUYRPQQ-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.07
Rot. Bonds

About 6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine

6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine (PubChem CID 130295907) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine.

Molecular Properties

Compound Name6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine
PubChem CID130295907
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine
SMILESCC1(N)CNCC2NCCCC2C1
InChIInChI=1S/C10H21N3/c1-10(11)5-8-3-2-4-13-9(8)6-12-7-10/h8-9,12-13H,2-7,11H2,1H3
InChIKeyIQEFYBBHUYRPQQ-UHFFFAOYSA-N
XLogP0.07
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine with MolForge

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Related Compounds

2,2,4,6-Tetramethylpiperidine
CID 95439
2-(Piperidin-3-yl)azepane
CID 16740519
rac-((2R,4S)-4-methylpiperidin-2-yl)methanamine
CID 124575153
2-[(4-Methylpiperidin-1-yl)methyl]azepane
CID 17389613
3,7-Diazaspiro[5.6]dodecane
CID 22975640
((2S,4R)-4-Methylpiperidin-2-yl)methanamine
CID 122163913
N-(2,2,6,6-Tetramethyl-4-piperidyl)ethylenediamine
CID 3018039
6-fluoro-N-(3-methyloctan-3-yl)piperidin-3-amine
CID 167068273
2-[(3-Methylpiperidin-1-yl)methyl]azepane
CID 17389963
4-Piperidineethanamine, 2,2,6,6-tetramethyl-
CID 12567367
3,4-Diamino-2,2,6,6-tetramethylpiperidine
CID 14416818
2-Ethyl-3,5-dimethylpiperidine
CID 55286551

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine?
The IUPAC name of 6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine (CID 130295907) is 6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine.
What is the SMILES notation for 6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine?
The canonical SMILES for 6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine is CC1(N)CNCC2NCCCC2C1.
What is the InChIKey of 6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine?
The InChIKey is IQEFYBBHUYRPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-10(11)5-8-3-2-4-13-9(8)6-12-7-10/h8-9,12-13H,2-7,11H2,1H3.
What are the key properties of 6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine?
6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine has a molecular weight of 183.30 g/mol, XLogP of 0.07, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[2,3-c]azepin-6-amine is sourced from PubChem (CID 130295907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).