1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride

C16H31ClN2O3 — CID 119332945

IUPAC1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCCOCC2CCOCC2)CCCCC1
InChIInChI=1S/C16H30N2O3.ClH/c17-16(7-2-1-3-8-16)15(19)18-9-4-10-21-13-14-5-11-20-12-6-14;/h14H,1-13,17H2,(H,18,19);1H
InChIKeyLLYPMYLYMZINKF-UHFFFAOYSA-N
MW334.89 g/mol
LogP2.02
Rot. Bonds7

About 1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119332945) has the molecular formula C16H31ClN2O3 and a molecular weight of 334.89 g/mol. Its IUPAC name is 1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119332945
Molecular FormulaC16H31ClN2O3
Molecular Weight334.89 g/mol
Exact Mass334.20
IUPAC Name1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCCOCC2CCOCC2)CCCCC1
InChIInChI=1S/C16H30N2O3.ClH/c17-16(7-2-1-3-8-16)15(19)18-9-4-10-21-13-14-5-11-20-12-6-14;/h14H,1-13,17H2,(H,18,19);1H
InChIKeyLLYPMYLYMZINKF-UHFFFAOYSA-N
XLogP2.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332937
1-amino-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
CID 119290205
1-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63706981
1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
CID 81168701
1-amino-N-[2-(oxan-4-yl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119724786
1-amino-N-(3-cyclopentyloxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119309030
4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxane-4-carboxamide
CID 114097725
1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide
CID 115452262
4-[3-(oxan-4-ylmethoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673829
3-amino-N-[3-(oxan-4-ylmethoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119799999
1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119329322
1-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119755575

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride (CID 119332945) is 1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCCCOCC2CCOCC2)CCCCC1.
What is the InChIKey of 1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is LLYPMYLYMZINKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3.ClH/c17-16(7-2-1-3-8-16)15(19)18-9-4-10-21-13-14-5-11-20-12-6-14;/h14H,1-13,17H2,(H,18,19);1H.
What are the key properties of 1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(oxan-4-ylmethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119332945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).