2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride

C11H23Cl2N3O — CID 140986414

IUPAC2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride
SMILESCl.Cl.NC1=NC(CN2CCOCC2)CCCC1
InChIInChI=1S/C11H21N3O.2ClH/c12-11-4-2-1-3-10(13-11)9-14-5-7-15-8-6-14;;/h10H,1-9H2,(H2,12,13);2*1H
InChIKeyWCPAJLDJCDWNON-UHFFFAOYSA-N
MW284.23 g/mol
LogP1.46
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride

2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride (PubChem CID 140986414) has the molecular formula C11H23Cl2N3O and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride
PubChem CID140986414
Molecular FormulaC11H23Cl2N3O
Molecular Weight284.23 g/mol
Exact Mass283.12
IUPAC Name2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride
SMILESCl.Cl.NC1=NC(CN2CCOCC2)CCCC1
InChIInChI=1S/C11H21N3O.2ClH/c12-11-4-2-1-3-10(13-11)9-14-5-7-15-8-6-14;;/h10H,1-9H2,(H2,12,13);2*1H
InChIKeyWCPAJLDJCDWNON-UHFFFAOYSA-N
XLogP1.46
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride?
The IUPAC name of 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride (CID 140986414) is 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride is Cl.Cl.NC1=NC(CN2CCOCC2)CCCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride?
The InChIKey is WCPAJLDJCDWNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.2ClH/c12-11-4-2-1-3-10(13-11)9-14-5-7-15-8-6-14;;/h10H,1-9H2,(H2,12,13);2*1H.
What are the key properties of 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride?
2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride has a molecular weight of 284.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;dihydrochloride is sourced from PubChem (CID 140986414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).