1-(methylamino)-4-propylcycloheptane-1-carboxamide

C12H24N2O — CID 65089354

IUPAC1-(methylamino)-4-propylcycloheptane-1-carboxamide
SMILESCCCC1CCCC(NC)(C(N)=O)CC1
InChIInChI=1S/C12H24N2O/c1-3-5-10-6-4-8-12(14-2,9-7-10)11(13)15/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyVVPUZEUDXGZZHR-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.81
Rot. Bonds4

About 1-(methylamino)-4-propylcycloheptane-1-carboxamide

1-(methylamino)-4-propylcycloheptane-1-carboxamide (PubChem CID 65089354) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(methylamino)-4-propylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-4-propylcycloheptane-1-carboxamide
PubChem CID65089354
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(methylamino)-4-propylcycloheptane-1-carboxamide
SMILESCCCC1CCCC(NC)(C(N)=O)CC1
InChIInChI=1S/C12H24N2O/c1-3-5-10-6-4-8-12(14-2,9-7-10)11(13)15/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyVVPUZEUDXGZZHR-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(methylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088677
1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide
CID 65088965
1-(benzylamino)-4-propylcycloheptane-1-carboxamide
CID 65088717
3-(2-cyclobutylethoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 114157865
2-[1-(methylamino)-4-propylcycloheptyl]acetic acid
CID 65236883
ethyl 1-(butan-2-ylamino)-4-propylcycloheptane-1-carboxylate
CID 65089169
1-(oxolan-2-ylmethylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088728
1-formamido-4-propylcyclohexane-1-carboxylic acid
CID 63687820
2-[4-propyl-1-(propylamino)cycloheptyl]acetamide
CID 65235539
3-amino-1-(methylamino)cyclopentane-1-carboxamide
CID 23523618
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79636529
1-(cyclopropylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 79647898

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-4-propylcycloheptane-1-carboxamide?
The IUPAC name of 1-(methylamino)-4-propylcycloheptane-1-carboxamide (CID 65089354) is 1-(methylamino)-4-propylcycloheptane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-4-propylcycloheptane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-4-propylcycloheptane-1-carboxamide is CCCC1CCCC(NC)(C(N)=O)CC1.
What is the InChIKey of 1-(methylamino)-4-propylcycloheptane-1-carboxamide?
The InChIKey is VVPUZEUDXGZZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-5-10-6-4-8-12(14-2,9-7-10)11(13)15/h10,14H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 1-(methylamino)-4-propylcycloheptane-1-carboxamide?
1-(methylamino)-4-propylcycloheptane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-4-propylcycloheptane-1-carboxamide is sourced from PubChem (CID 65089354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).