4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride

C14H31Cl2N3O2 — CID 120942541

IUPAC4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
SMILESCCCN(CC)CCNC(=O)C1(CN)CCOCC1.Cl.Cl
InChIInChI=1S/C14H29N3O2.2ClH/c1-3-8-17(4-2)9-7-16-13(18)14(12-15)5-10-19-11-6-14;;/h3-12,15H2,1-2H3,(H,16,18);2*1H
InChIKeyCGVCUEFHOQLFIK-UHFFFAOYSA-N
MW344.33 g/mol
LogP1.43
Rot. Bonds8

About 4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride (PubChem CID 120942541) has the molecular formula C14H31Cl2N3O2 and a molecular weight of 344.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
PubChem CID120942541
Molecular FormulaC14H31Cl2N3O2
Molecular Weight344.33 g/mol
Exact Mass343.18
IUPAC Name4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
SMILESCCCN(CC)CCNC(=O)C1(CN)CCOCC1.Cl.Cl
InChIInChI=1S/C14H29N3O2.2ClH/c1-3-8-17(4-2)9-7-16-13(18)14(12-15)5-10-19-11-6-14;;/h3-12,15H2,1-2H3,(H,16,18);2*1H
InChIKeyCGVCUEFHOQLFIK-UHFFFAOYSA-N
XLogP1.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[2-(diethylamino)ethyl]cyclopentane-1-carboxamide
CID 55037810
4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
CID 120940109
4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride
CID 120939373
4-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]oxane-4-carboxamide;hydrochloride
CID 120929562
4-(aminomethyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]oxane-4-carboxamide
CID 120938252
4-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]oxane-4-carboxamide
CID 106235075
4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 115439457
4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride
CID 120938295
4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride
CID 120932439
4-(aminomethyl)-N-(3-methylsulfanylbutyl)oxane-4-carboxamide
CID 113493999
1-amino-N-[2-(diethylamino)ethyl]cyclopentane-1-carboxamide
CID 60867384
4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride
CID 120941429

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride (CID 120942541) is 4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride is CCCN(CC)CCNC(=O)C1(CN)CCOCC1.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride?
The InChIKey is CGVCUEFHOQLFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2.2ClH/c1-3-8-17(4-2)9-7-16-13(18)14(12-15)5-10-19-11-6-14;;/h3-12,15H2,1-2H3,(H,16,18);2*1H.
What are the key properties of 4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride has a molecular weight of 344.33 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120942541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).