ethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine

C15H32N2 — CID 142584775

IUPACethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine
SMILESCC.CC.CCCN(CC)C1=NCCCC=C1
InChIInChI=1S/C11H20N2.2C2H6/c1-3-10-13(4-2)11-8-6-5-7-9-12-11;2*1-2/h6,8H,3-5,7,9-10H2,1-2H3;2*1-2H3
InChIKeyMKFDQCDCJZYQHJ-UHFFFAOYSA-N
MW240.44 g/mol
LogP4.52
Rot. Bonds3

About ethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine

ethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine (PubChem CID 142584775) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is ethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine
PubChem CID142584775
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Nameethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine
SMILESCC.CC.CCCN(CC)C1=NCCCC=C1
InChIInChI=1S/C11H20N2.2C2H6/c1-3-10-13(4-2)11-8-6-5-7-9-12-11;2*1-2/h6,8H,3-5,7,9-10H2,1-2H3;2*1-2H3
InChIKeyMKFDQCDCJZYQHJ-UHFFFAOYSA-N
XLogP4.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 56625538
N-butyl-1-methyl-2,5-dihydropyridin-6-imine
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1-methyl-N-propyl-2,5-dihydropyridin-6-imine
CID 56633011
(2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine
CID 67991630
N-ethyl-N,4-dimethyl-3,4-dihydro-2H-azepin-7-amine
CID 91224762
1-(azetidin-1-yl)-N-methylpent-2-en-1-imine
CID 123472124
N,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine
CID 123680092
2,3,4,6,7,8-Hexahydropyrimido[1,2-a]azepine
CID 124016095
(Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane
CID 143660707
N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine
CID 146550503
ethene;(Z)-N-methyl-1-(3-methylazetidin-1-yl)hex-2-en-1-imine
CID 154695609

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine?
The IUPAC name of ethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine (CID 142584775) is ethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine.
What is the SMILES notation for ethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine?
The canonical SMILES for ethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine is CC.CC.CCCN(CC)C1=NCCCC=C1.
What is the InChIKey of ethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine?
The InChIKey is MKFDQCDCJZYQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.2C2H6/c1-3-10-13(4-2)11-8-6-5-7-9-12-11;2*1-2/h6,8H,3-5,7,9-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine?
ethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine has a molecular weight of 240.44 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-propyl-3,4-dihydro-2H-azepin-7-amine is sourced from PubChem (CID 142584775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).