N-(5-bromopentyl)adamantane-1-carboxamide

C16H26BrNO — CID 107321772

IUPACN-(5-bromopentyl)adamantane-1-carboxamide
SMILESO=C(NCCCCCBr)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26BrNO/c17-4-2-1-3-5-18-15(19)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2,(H,18,19)
InChIKeyVUDANTCTHQWZFQ-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.88
Rot. Bonds6

About N-(5-bromopentyl)adamantane-1-carboxamide

N-(5-bromopentyl)adamantane-1-carboxamide (PubChem CID 107321772) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is N-(5-bromopentyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromopentyl)adamantane-1-carboxamide
PubChem CID107321772
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC NameN-(5-bromopentyl)adamantane-1-carboxamide
SMILESO=C(NCCCCCBr)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26BrNO/c17-4-2-1-3-5-18-15(19)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2,(H,18,19)
InChIKeyVUDANTCTHQWZFQ-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(5-bromopentyl)adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-bromohexyl)-3-methyladamantane-1-carboxamide
CID 107847738
7-(adamantane-1-carbonylamino)heptanoic acid
CID 71700197
N-(4-iodobutyl)adamantane-1-carboxamide
CID 106846336
N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359
N-(5-bromopentyl)-3,5-dimethyladamantane-1-carboxamide
CID 107322108
N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide
CID 43596349
N-(3-methoxypropyl)adamantane-1-carboxamide
CID 2805242
N-(4-azidobutyl)adamantane-1-carboxamide
CID 106386481
3-(adamantane-1-carbonylamino)propyl-dodecyl-dimethylazanium
CID 54370824
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
phenyl 4-(adamantane-1-carbonylamino)butanoate
CID 18281096
5-bromopentyl adamantane-1-carboxylate
CID 102110457

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)adamantane-1-carboxamide?
The IUPAC name of N-(5-bromopentyl)adamantane-1-carboxamide (CID 107321772) is N-(5-bromopentyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(5-bromopentyl)adamantane-1-carboxamide?
The canonical SMILES for N-(5-bromopentyl)adamantane-1-carboxamide is O=C(NCCCCCBr)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(5-bromopentyl)adamantane-1-carboxamide?
The InChIKey is VUDANTCTHQWZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c17-4-2-1-3-5-18-15(19)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2,(H,18,19).
What are the key properties of N-(5-bromopentyl)adamantane-1-carboxamide?
N-(5-bromopentyl)adamantane-1-carboxamide has a molecular weight of 328.29 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)adamantane-1-carboxamide is sourced from PubChem (CID 107321772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).