CID 59116083

C7H16N3O — CID 59116083

IUPAC—
SMILESCC(CCCN)NC(=O)C[NH]
InChIInChI=1S/C7H16N3O/c1-6(3-2-4-8)10-7(11)5-9/h6,9H,2-5,8H2,1H3,(H,10,11)
InChIKeyMRRDQFGVUGJSHJ-UHFFFAOYSA-N
MW158.22 g/mol
LogP-0.49
Rot. Bonds5

About CID 59116083

CID 59116083 (PubChem CID 59116083) has the molecular formula C7H16N3O and a molecular weight of 158.22 g/mol.

Molecular Properties

Compound NameCID 59116083
PubChem CID59116083
Molecular FormulaC7H16N3O
Molecular Weight158.22 g/mol
Exact Mass158.13
IUPAC Name—
SMILESCC(CCCN)NC(=O)C[NH]
InChIInChI=1S/C7H16N3O/c1-6(3-2-4-8)10-7(11)5-9/h6,9H,2-5,8H2,1H3,(H,10,11)
InChIKeyMRRDQFGVUGJSHJ-UHFFFAOYSA-N
XLogP-0.49
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
N-(6-aminohexan-2-yl)octanamide
CID 123172105
5-amino-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177679
6-(5-aminopentanoylamino)-2-methylheptanoic acid
CID 65286275
N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
5-[(2-aminoacetyl)amino]hexanoic acid
CID 82846044
7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide
CID 119796530
5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid
CID 82847592
5-amino-N-butan-2-yl-2-methylpentanamide
CID 112515136
N-(5-aminopentan-2-yl)-5-methyloxolane-2-carboxamide
CID 81326874
6-amino-N-[5-(diethylamino)pentan-2-yl]hexanamide
CID 24702267
N-(4-aminobutan-2-yl)octanamide
CID 62087208

Frequently Asked Questions

What is the IUPAC name of CID 59116083?
The IUPAC name of CID 59116083 (CID 59116083) is not available.
What is the SMILES notation for CID 59116083?
The canonical SMILES for CID 59116083 is CC(CCCN)NC(=O)C[NH].
What is the InChIKey of CID 59116083?
The InChIKey is MRRDQFGVUGJSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N3O/c1-6(3-2-4-8)10-7(11)5-9/h6,9H,2-5,8H2,1H3,(H,10,11).
What are the key properties of CID 59116083?
CID 59116083 has a molecular weight of 158.22 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59116083 is sourced from PubChem (CID 59116083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).