N-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide

C16H27NO — CID 10014969

IUPACN-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide
SMILESCC(C)[C@@H]1CC2C(C)(NC=O)C3CC1C[C@]2(C)C3
InChIInChI=1S/C16H27NO/c1-10(2)13-6-14-15(3)7-11(13)5-12(8-15)16(14,4)17-9-18/h9-14H,5-8H2,1-4H3,(H,17,18)/t11?,12?,13-,14?,15+,16?/m0/s1
InChIKeyISXXOZIZRHXJKT-UFYHYMMDSA-N
MW249.40 g/mol
LogP3.22
Rot. Bonds3

About N-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide

N-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide (PubChem CID 10014969) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide.

Molecular Properties

Compound NameN-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide
PubChem CID10014969
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide
SMILESCC(C)[C@@H]1CC2C(C)(NC=O)C3CC1C[C@]2(C)C3
InChIInChI=1S/C16H27NO/c1-10(2)13-6-14-15(3)7-11(13)5-12(8-15)16(14,4)17-9-18/h9-14H,5-8H2,1-4H3,(H,17,18)/t11?,12?,13-,14?,15+,16?/m0/s1
InChIKeyISXXOZIZRHXJKT-UFYHYMMDSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide 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-[(1'S,2'R,3'R,5'S,6'S,8'R)-2',8'-dimethyl-5'-propan-2-ylspiro[1,3-dithiolane-2,7'-tricyclo[4.3.1.03,8]decane]-2'-yl]formamide
CID 25198481
(2R,5R,6S,8R)-2-isothiocyanato-2,8-dimethyl-5-propan-2-yltricyclo[4.3.1.03,8]decane
CID 163107294
CID 135011175
CID 135011175
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
N-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide
CID 75202316
2,5-di(propan-2-yl)bicyclo[2.2.2]octane
CID 140828495
cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbaldehyde
CID 124564061
(1R,2S,5R)-2,6,6-trimethyl-3-propan-2-ylbicyclo[3.1.1]heptane
CID 140665995
N-(2-formamido-2-methylcyclopropyl)formamide
CID 174912967
2,6,6-trimethyl-3-propan-2-ylbicyclo[3.1.1]heptane
CID 59658228
4-propan-2-ylbicyclo[4.1.0]heptan-3-amine
CID 174265608
1-methyl-1-(2-propan-2-ylcyclopropyl)cyclopropane
CID 123525117

Frequently Asked Questions

What is the IUPAC name of N-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide?
The IUPAC name of N-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide (CID 10014969) is N-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide.
What is the SMILES notation for N-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide?
The canonical SMILES for N-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide is CC(C)[C@@H]1CC2C(C)(NC=O)C3CC1C[C@]2(C)C3.
What is the InChIKey of N-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide?
The InChIKey is ISXXOZIZRHXJKT-UFYHYMMDSA-N. The full InChI is InChI=1S/C16H27NO/c1-10(2)13-6-14-15(3)7-11(13)5-12(8-15)16(14,4)17-9-18/h9-14H,5-8H2,1-4H3,(H,17,18)/t11?,12?,13-,14?,15+,16?/m0/s1.
What are the key properties of N-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide?
N-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide has a molecular weight of 249.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide is sourced from PubChem (CID 10014969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).