N-(4-iodobutyl)adamantane-1-carboxamide

C15H24INO — CID 106846336

IUPACN-(4-iodobutyl)adamantane-1-carboxamide
SMILESO=C(NCCCCI)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24INO/c16-3-1-2-4-17-14(18)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2,(H,17,18)
InChIKeyOTJKMEQRMINKNC-UHFFFAOYSA-N
MW361.27 g/mol
LogP3.53
Rot. Bonds5

About N-(4-iodobutyl)adamantane-1-carboxamide

N-(4-iodobutyl)adamantane-1-carboxamide (PubChem CID 106846336) has the molecular formula C15H24INO and a molecular weight of 361.27 g/mol. Its IUPAC name is N-(4-iodobutyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-iodobutyl)adamantane-1-carboxamide
PubChem CID106846336
Molecular FormulaC15H24INO
Molecular Weight361.27 g/mol
Exact Mass361.09
IUPAC NameN-(4-iodobutyl)adamantane-1-carboxamide
SMILESO=C(NCCCCI)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24INO/c16-3-1-2-4-17-14(18)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2,(H,17,18)
InChIKeyOTJKMEQRMINKNC-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.53
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
Adamantan-1-yl-piperazin-1-yl-methanone
CID 17233943
2-(1-adamantyl)-N-cyclopropylacetamide
CID 5116038
2-(adamantan-1-yl)-N-methylacetamide
CID 610088
2-(1-adamantyl)-N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide
CID 44346643
N-[3-[3-(3-aminopropylamino)propylamino]propyl]adamantane-1-carboxamide
CID 44346832
Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, N-(2-(dimethylamino)ethyl)-
CID 3041449
N-butyladamantane-1-carboxamide
CID 585486
1-Adamantaneacetamide, N-(2-(dimethylamino)ethyl)-, ethyl iodide
CID 64378
1-Adamantaneacetamide, N-(2-(diethylamino)ethyl)-, ethyl iodide
CID 64380
1-Adamantaneacetamide, N-(3-(dimethylamino)propyl)-, ethyl iodide
CID 64382

Frequently Asked Questions

What is the IUPAC name of N-(4-iodobutyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-iodobutyl)adamantane-1-carboxamide (CID 106846336) is N-(4-iodobutyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-iodobutyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-iodobutyl)adamantane-1-carboxamide is O=C(NCCCCI)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(4-iodobutyl)adamantane-1-carboxamide?
The InChIKey is OTJKMEQRMINKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24INO/c16-3-1-2-4-17-14(18)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2,(H,17,18).
What are the key properties of N-(4-iodobutyl)adamantane-1-carboxamide?
N-(4-iodobutyl)adamantane-1-carboxamide has a molecular weight of 361.27 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodobutyl)adamantane-1-carboxamide is sourced from PubChem (CID 106846336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).