1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide

C14H26N2O3 — CID 81130808

IUPAC1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCC2(O)CCOCC2)C1
InChIInChI=1S/C14H26N2O3/c1-11-3-2-4-14(15,9-11)12(17)16-10-13(18)5-7-19-8-6-13/h11,18H,2-10,15H2,1H3,(H,16,17)
InChIKeyMYLRMFLOZVJDKF-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.55
Rot. Bonds3

About 1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide

1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide (PubChem CID 81130808) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide
PubChem CID81130808
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCC2(O)CCOCC2)C1
InChIInChI=1S/C14H26N2O3/c1-11-3-2-4-14(15,9-11)12(17)16-10-13(18)5-7-19-8-6-13/h11,18H,2-10,15H2,1H3,(H,16,17)
InChIKeyMYLRMFLOZVJDKF-UHFFFAOYSA-N
XLogP0.55
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide (CID 81130808) is 1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NCC2(O)CCOCC2)C1.
What is the InChIKey of 1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is MYLRMFLOZVJDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11-3-2-4-14(15,9-11)12(17)16-10-13(18)5-7-19-8-6-13/h11,18H,2-10,15H2,1H3,(H,16,17).
What are the key properties of 1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide?
1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 81130808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).