2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide

C19H35N5O — CID 123937213

IUPAC2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide
SMILES[H]/N=C(/C(C/C(C)=N/[H])C(=O)N(C)C)N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C19H35N5O/c1-14(20)13-17(19(25)23(2)3)18(21)24-11-9-16(10-12-24)22-15-7-5-4-6-8-15/h15-17,20-22H,4-13H2,1-3H3/b20-14+,21-18-
InChIKeyONQMVALSKYXBHH-JEIBLIDASA-N
MW349.52 g/mol
LogP2.48
Rot. Bonds6

About 2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide

2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide (PubChem CID 123937213) has the molecular formula C19H35N5O and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide.

Molecular Properties

Compound Name2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide
PubChem CID123937213
Molecular FormulaC19H35N5O
Molecular Weight349.52 g/mol
Exact Mass349.28
IUPAC Name2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide
SMILES[H]/N=C(/C(C/C(C)=N/[H])C(=O)N(C)C)N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C19H35N5O/c1-14(20)13-17(19(25)23(2)3)18(21)24-11-9-16(10-12-24)22-15-7-5-4-6-8-15/h15-17,20-22H,4-13H2,1-3H3/b20-14+,21-18-
InChIKeyONQMVALSKYXBHH-JEIBLIDASA-N
XLogP2.48
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide?
The IUPAC name of 2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide (CID 123937213) is 2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide.
What is the SMILES notation for 2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide?
The canonical SMILES for 2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide is [H]/N=C(/C(C/C(C)=N/[H])C(=O)N(C)C)N1CCC(NC2CCCCC2)CC1.
What is the InChIKey of 2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide?
The InChIKey is ONQMVALSKYXBHH-JEIBLIDASA-N. The full InChI is InChI=1S/C19H35N5O/c1-14(20)13-17(19(25)23(2)3)18(21)24-11-9-16(10-12-24)22-15-7-5-4-6-8-15/h15-17,20-22H,4-13H2,1-3H3/b20-14+,21-18-.
What are the key properties of 2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide?
2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide has a molecular weight of 349.52 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide is sourced from PubChem (CID 123937213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).