N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide

C14H28N2O — CID 81392455

IUPACN-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-12(13-8-5-3-4-6-9-13)16-14(17)10-7-11-15-2/h12-13,15H,3-11H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyIPZOMCAXVJMSMI-GFCCVEGCSA-N
MW240.39 g/mol
LogP2.46
Rot. Bonds6

About N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide

N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide (PubChem CID 81392455) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
PubChem CID81392455
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-12(13-8-5-3-4-6-9-13)16-14(17)10-7-11-15-2/h12-13,15H,3-11H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyIPZOMCAXVJMSMI-GFCCVEGCSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389
N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide
CID 81386458
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
N-(1-cyclopropylethyl)-4-(propan-2-ylamino)butanamide
CID 60849186
N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide
CID 122080634
6-amino-N-(1-cyclohexylethyl)hexanamide
CID 55069317
5-amino-N-[(1R)-1-cyclohexylethyl]hexanamide
CID 82852365
5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide
CID 81393682
3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide
CID 81391715

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide (CID 81392455) is N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide is CNCCCC(=O)N[C@H](C)C1CCCCCC1.
What is the InChIKey of N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide?
The InChIKey is IPZOMCAXVJMSMI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(13-8-5-3-4-6-9-13)16-14(17)10-7-11-15-2/h12-13,15H,3-11H2,1-2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide?
N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide has a molecular weight of 240.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 81392455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).