4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride

C16H31Cl2N3O2 — CID 120941198

IUPAC4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)NC2CCN(C3CCCC3)C2)CCOCC1
InChIInChI=1S/C16H29N3O2.2ClH/c17-12-16(6-9-21-10-7-16)15(20)18-13-5-8-19(11-13)14-3-1-2-4-14;;/h13-14H,1-12,17H2,(H,18,20);2*1H
InChIKeySOSCZOHMWBKMRJ-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.72
Rot. Bonds4

About 4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride (PubChem CID 120941198) has the molecular formula C16H31Cl2N3O2 and a molecular weight of 368.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride
PubChem CID120941198
Molecular FormulaC16H31Cl2N3O2
Molecular Weight368.35 g/mol
Exact Mass367.18
IUPAC Name4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)NC2CCN(C3CCCC3)C2)CCOCC1
InChIInChI=1S/C16H29N3O2.2ClH/c17-12-16(6-9-21-10-7-16)15(20)18-13-5-8-19(11-13)14-3-1-2-4-14;;/h13-14H,1-12,17H2,(H,18,20);2*1H
InChIKeySOSCZOHMWBKMRJ-UHFFFAOYSA-N
XLogP1.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 120937591
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CID 120939451
1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119864838
4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
CID 63363409
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 62367937
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120935393
1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 115441634
4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
CID 107221619
4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]oxane-4-carboxamide
CID 120942736
4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride
CID 120929053
4-(aminomethyl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]oxane-4-carboxamide
CID 120940743

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride (CID 120941198) is 4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride is Cl.Cl.NCC1(C(=O)NC2CCN(C3CCCC3)C2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride?
The InChIKey is SOSCZOHMWBKMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.2ClH/c17-12-16(6-9-21-10-7-16)15(20)18-13-5-8-19(11-13)14-3-1-2-4-14;;/h13-14H,1-12,17H2,(H,18,20);2*1H.
What are the key properties of 4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride has a molecular weight of 368.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120941198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).