4-[(1-hydroxycycloheptyl)methylamino]butanamide

C12H24N2O2 — CID 60908501

IUPAC4-[(1-hydroxycycloheptyl)methylamino]butanamide
SMILESNC(=O)CCCNCC1(O)CCCCCC1
InChIInChI=1S/C12H24N2O2/c13-11(15)6-5-9-14-10-12(16)7-3-1-2-4-8-12/h14,16H,1-10H2,(H2,13,15)
InChIKeyPIYJEMFYXOXXMB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.93
Rot. Bonds6

About 4-[(1-hydroxycycloheptyl)methylamino]butanamide

4-[(1-hydroxycycloheptyl)methylamino]butanamide (PubChem CID 60908501) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[(1-hydroxycycloheptyl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(1-hydroxycycloheptyl)methylamino]butanamide
PubChem CID60908501
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[(1-hydroxycycloheptyl)methylamino]butanamide
SMILESNC(=O)CCCNCC1(O)CCCCCC1
InChIInChI=1S/C12H24N2O2/c13-11(15)6-5-9-14-10-12(16)7-3-1-2-4-8-12/h14,16H,1-10H2,(H2,13,15)
InChIKeyPIYJEMFYXOXXMB-UHFFFAOYSA-N
XLogP0.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-hydroxycyclohexyl)methylamino]propanamide
CID 60909908
4-[(1-hydroxycyclohexyl)methylamino]butanoic acid
CID 65108900
4-[[(4-amino-4-oxobutyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499157
N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide
CID 79394707
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol
CID 115664087
1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
CID 65108735
5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
CID 65123008
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974
1-[(5-hydroxypentylamino)methyl]cyclopentan-1-ol
CID 65111515
4-[(1-hydroxycycloheptyl)methylcarbamoylamino]butanoic acid
CID 122023208
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycycloheptyl)methylamino]butanamide?
The IUPAC name of 4-[(1-hydroxycycloheptyl)methylamino]butanamide (CID 60908501) is 4-[(1-hydroxycycloheptyl)methylamino]butanamide.
What is the SMILES notation for 4-[(1-hydroxycycloheptyl)methylamino]butanamide?
The canonical SMILES for 4-[(1-hydroxycycloheptyl)methylamino]butanamide is NC(=O)CCCNCC1(O)CCCCCC1.
What is the InChIKey of 4-[(1-hydroxycycloheptyl)methylamino]butanamide?
The InChIKey is PIYJEMFYXOXXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c13-11(15)6-5-9-14-10-12(16)7-3-1-2-4-8-12/h14,16H,1-10H2,(H2,13,15).
What are the key properties of 4-[(1-hydroxycycloheptyl)methylamino]butanamide?
4-[(1-hydroxycycloheptyl)methylamino]butanamide has a molecular weight of 228.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycycloheptyl)methylamino]butanamide is sourced from PubChem (CID 60908501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).