N-(4-aminocyclohexyl)-2-methylprop-2-enamide

C10H18N2O — CID 130002701

IUPACN-(4-aminocyclohexyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1CCC(N)CC1
InChIInChI=1S/C10H18N2O/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h8-9H,1,3-6,11H2,2H3,(H,12,13)
InChIKeyBXHJIVDULNBSHK-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.95
Rot. Bonds2

About N-(4-aminocyclohexyl)-2-methylprop-2-enamide

N-(4-aminocyclohexyl)-2-methylprop-2-enamide (PubChem CID 130002701) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-methylprop-2-enamide
PubChem CID130002701
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(4-aminocyclohexyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1CCC(N)CC1
InChIInChI=1S/C10H18N2O/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h8-9H,1,3-6,11H2,2H3,(H,12,13)
InChIKeyBXHJIVDULNBSHK-UHFFFAOYSA-N
XLogP0.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-methylprop-2-enamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-methylprop-2-enamide (CID 130002701) is N-(4-aminocyclohexyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-methylprop-2-enamide is C=C(C)C(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-methylprop-2-enamide?
The InChIKey is BXHJIVDULNBSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h8-9H,1,3-6,11H2,2H3,(H,12,13).
What are the key properties of N-(4-aminocyclohexyl)-2-methylprop-2-enamide?
N-(4-aminocyclohexyl)-2-methylprop-2-enamide has a molecular weight of 182.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-methylprop-2-enamide is sourced from PubChem (CID 130002701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).