2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide

C12H24N2O2 — CID 106872898

IUPAC2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide
SMILESCOC1CCCCC1(NCC(C)C)C(N)=O
InChIInChI=1S/C12H24N2O2/c1-9(2)8-14-12(11(13)15)7-5-4-6-10(12)16-3/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyYIKUDPRHQMLACG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds5

About 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide

2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide (PubChem CID 106872898) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide
PubChem CID106872898
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide
SMILESCOC1CCCCC1(NCC(C)C)C(N)=O
InChIInChI=1S/C12H24N2O2/c1-9(2)8-14-12(11(13)15)7-5-4-6-10(12)16-3/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyYIKUDPRHQMLACG-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate
CID 106873081
1-(cyclopropylamino)-2-methoxycyclohexane-1-carboxamide
CID 106872901
1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide
CID 106872875
ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate
CID 106873112
1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxamide
CID 106872870
ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate
CID 106873125
ethyl 2-methoxy-1-(prop-2-ynylamino)cyclohexane-1-carboxylate
CID 106873124
2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide
CID 81320441
methyl 1-(3-azidopropylamino)-2-methoxycyclohexane-1-carboxylate
CID 106873198
methyl 1-amino-2-methoxycyclohexane-1-carboxylate
CID 106872967
methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate
CID 64754964
methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate
CID 106874714

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide?
The IUPAC name of 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide (CID 106872898) is 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide is COC1CCCCC1(NCC(C)C)C(N)=O.
What is the InChIKey of 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide?
The InChIKey is YIKUDPRHQMLACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)8-14-12(11(13)15)7-5-4-6-10(12)16-3/h9-10,14H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide?
2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 106872898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).