N-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide

C14H26N2O2 — CID 114823503

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide
SMILESCC1CCCC(CN)(NC(=O)C2COC(C)C2)C1
InChIInChI=1S/C14H26N2O2/c1-10-4-3-5-14(7-10,9-15)16-13(17)12-6-11(2)18-8-12/h10-12H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyBZLKGGBXVHNDGB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.44
Rot. Bonds3

About N-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide

N-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide (PubChem CID 114823503) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide
PubChem CID114823503
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide
SMILESCC1CCCC(CN)(NC(=O)C2COC(C)C2)C1
InChIInChI=1S/C14H26N2O2/c1-10-4-3-5-14(7-10,9-15)16-13(17)12-6-11(2)18-8-12/h10-12H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyBZLKGGBXVHNDGB-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate
CID 63766942
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 63753681
N-[1-(aminomethyl)-4-methylcyclohexyl]cyclopentanecarboxamide
CID 55241583
5-methyl-N-(4-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 114826489
1-[1-(aminomethyl)-3-methylcyclohexyl]-3-benzylurea
CID 107654538
N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide
CID 63756015
N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide
CID 81327458
N-[1-(bromomethyl)-3-methylcyclohexyl]oxolane-2-carboxamide
CID 114314670
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 79759322
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 114314618
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 114303934
N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide
CID 63767807

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide (CID 114823503) is N-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide is CC1CCCC(CN)(NC(=O)C2COC(C)C2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide?
The InChIKey is BZLKGGBXVHNDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-4-3-5-14(7-10,9-15)16-13(17)12-6-11(2)18-8-12/h10-12H,3-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide?
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114823503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).