ethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine

C14H25N3 — CID 143997703

IUPACethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine
SMILESCC.NCCCC1=CCC=C2CCCN=C2N1
InChIInChI=1S/C12H19N3.C2H6/c13-8-2-7-11-6-1-4-10-5-3-9-14-12(10)15-11;1-2/h4,6H,1-3,5,7-9,13H2,(H,14,15);1-2H3
InChIKeyVMTWQRIQEAEWQN-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds3

About ethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine

ethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine (PubChem CID 143997703) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine.

Molecular Properties

Compound Nameethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine
PubChem CID143997703
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Nameethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine
SMILESCC.NCCCC1=CCC=C2CCCN=C2N1
InChIInChI=1S/C12H19N3.C2H6/c13-8-2-7-11-6-1-4-10-5-3-9-14-12(10)15-11;1-2/h4,6H,1-3,5,7-9,13H2,(H,14,15);1-2H3
InChIKeyVMTWQRIQEAEWQN-UHFFFAOYSA-N
XLogP2.75
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N'-methyl-2-[[(3E)-penta-1,3-dien-2-yl]amino]cyclohexa-1,3-diene-1-carboximidamide
CID 89091557
2-But-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine
CID 90865640
7-ethyl-2,3,4,8-tetrahydro-1H-pyrido[2,3-b]azepine
CID 91251223
(3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine
CID 126659319
(4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine
CID 129208626
5-ethyl-2-N,6-N-dipentyl-3H-pyridine-2,6-diimine
CID 137053042
(3E)-3-(aminomethylidene)-6-methyl-2-pentylimino-1,4-dihydropyridin-4-amine
CID 137247912
2-Tert-butyl-6,6,8-trimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine
CID 142101442
5-methylidene-N-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-6-amine
CID 142943192
ethane;(5Z)-N-ethenyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 143320826
6,6-Dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine
CID 143729093
ethane;N'-[(5E)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethane-1,2-diamine
CID 143987472

Frequently Asked Questions

What is the IUPAC name of ethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine?
The IUPAC name of ethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine (CID 143997703) is ethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine.
What is the SMILES notation for ethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine?
The canonical SMILES for ethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine is CC.NCCCC1=CCC=C2CCCN=C2N1.
What is the InChIKey of ethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine?
The InChIKey is VMTWQRIQEAEWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.C2H6/c13-8-2-7-11-6-1-4-10-5-3-9-14-12(10)15-11;1-2/h4,6H,1-3,5,7-9,13H2,(H,14,15);1-2H3.
What are the key properties of ethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine?
ethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3,4,6,9-tetrahydro-2H-pyrido[2,3-b]azepin-8-yl)propan-1-amine is sourced from PubChem (CID 143997703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).