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

C13H27Cl2N3O2 — CID 120940109

IUPAC4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
SMILESCN(CCNC(=O)C1(CN)CCOCC1)C1CC1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-16(11-2-3-11)7-6-15-12(17)13(10-14)4-8-18-9-5-13;;/h11H,2-10,14H2,1H3,(H,15,17);2*1H
InChIKeyWWVKDDXRLPNYEF-UHFFFAOYSA-N
MW328.28 g/mol
LogP0.80
Rot. Bonds6

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

4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride (PubChem CID 120940109) has the molecular formula C13H27Cl2N3O2 and a molecular weight of 328.28 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
PubChem CID120940109
Molecular FormulaC13H27Cl2N3O2
Molecular Weight328.28 g/mol
Exact Mass327.15
IUPAC Name4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
SMILESCN(CCNC(=O)C1(CN)CCOCC1)C1CC1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-16(11-2-3-11)7-6-15-12(17)13(10-14)4-8-18-9-5-13;;/h11H,2-10,14H2,1H3,(H,15,17);2*1H
InChIKeyWWVKDDXRLPNYEF-UHFFFAOYSA-N
XLogP0.80
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
CID 120942541
4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 115439457
4-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]oxane-4-carboxamide;hydrochloride
CID 120929562
1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119878774
4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride
CID 120941429
4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride
CID 120939373
1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide
CID 80589183
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methyloxolane-3-carboxamide
CID 66263890
4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxane-4-carboxamide
CID 114097725
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016
4-(aminomethyl)-N-(thian-4-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120928615
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120922301

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride (CID 120940109) is 4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride is CN(CCNC(=O)C1(CN)CCOCC1)C1CC1.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride?
The InChIKey is WWVKDDXRLPNYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.2ClH/c1-16(11-2-3-11)7-6-15-12(17)13(10-14)4-8-18-9-5-13;;/h11H,2-10,14H2,1H3,(H,15,17);2*1H.
What are the key properties of 4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride has a molecular weight of 328.28 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120940109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).