3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide

C11H21N3O — CID 63176347

IUPAC3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC/N=C(\N)C1CCCC1
InChIInChI=1S/C11H21N3O/c1-14(2)10(15)7-8-13-11(12)9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H2,12,13)
InChIKeyCIVVZVDTLVFAKR-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.01
Rot. Bonds4

About 3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide

3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide (PubChem CID 63176347) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide
PubChem CID63176347
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC/N=C(\N)C1CCCC1
InChIInChI=1S/C11H21N3O/c1-14(2)10(15)7-8-13-11(12)9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H2,12,13)
InChIKeyCIVVZVDTLVFAKR-UHFFFAOYSA-N
XLogP1.01
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide (CID 63176347) is 3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide is CN(C)C(=O)CC/N=C(\N)C1CCCC1.
What is the InChIKey of 3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide?
The InChIKey is CIVVZVDTLVFAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-14(2)10(15)7-8-13-11(12)9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide?
3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide has a molecular weight of 211.31 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(cyclopentyl)methylidene]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 63176347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).