N-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide

C16H27NO — CID 75202316

IUPACN-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide
SMILESCC(C)C1C[C@@]2(C)C3CCC(C)(C[C@H]13)C2NC=O
InChIInChI=1S/C16H27NO/c1-10(2)11-8-16(4)13-5-6-15(3,7-12(11)13)14(16)17-9-18/h9-14H,5-8H2,1-4H3,(H,17,18)/t11?,12-,13?,14?,15?,16+/m1/s1
InChIKeyZMNALZIXBKIMDE-UPNHIAKKSA-N
MW249.40 g/mol
LogP3.22
Rot. Bonds3

About N-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide

N-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide (PubChem CID 75202316) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide.

Molecular Properties

Compound NameN-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide
PubChem CID75202316
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide
SMILESCC(C)C1C[C@@]2(C)C3CCC(C)(C[C@H]13)C2NC=O
InChIInChI=1S/C16H27NO/c1-10(2)11-8-16(4)13-5-6-15(3,7-12(11)13)14(16)17-9-18/h9-14H,5-8H2,1-4H3,(H,17,18)/t11?,12-,13?,14?,15?,16+/m1/s1
InChIKeyZMNALZIXBKIMDE-UPNHIAKKSA-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-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide with MolForge

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Related Compounds

(1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl) thiocyanate
CID 74052240
(5S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decane
CID 135011219
methyl (1R,3R,5S,6S,7S)-1-methyl-2-oxo-5-propan-2-yltricyclo[4.3.1.03,7]decane-3-carboxylate
CID 177418994
N-[(1R,2R)-2-propan-2-ylcyclohexyl]formamide
CID 88958031
(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
CID 131156042
1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane
CID 74051960
N-[1-[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]formamide
CID 57077500
(1R,2S,3R,6R,9S,11R,12S,14S)-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecan-11-ol
CID 162917025
N-[(5S,8R)-2,8-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,8]decanyl]formamide
CID 10014969
N-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]formamide
CID 14056202
N-[(8R,9S,10S,13S,14S)-10,13-dimethyl-3,17-dioxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl]formamide
CID 87709832
8,9-di(propan-2-yl)spiro[4.5]decane
CID 140631430

Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide?
The IUPAC name of N-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide (CID 75202316) is N-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide.
What is the SMILES notation for N-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide?
The canonical SMILES for N-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide is CC(C)C1C[C@@]2(C)C3CCC(C)(C[C@H]13)C2NC=O.
What is the InChIKey of N-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide?
The InChIKey is ZMNALZIXBKIMDE-UPNHIAKKSA-N. The full InChI is InChI=1S/C16H27NO/c1-10(2)11-8-16(4)13-5-6-15(3,7-12(11)13)14(16)17-9-18/h9-14H,5-8H2,1-4H3,(H,17,18)/t11?,12-,13?,14?,15?,16+/m1/s1.
What are the key properties of N-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide?
N-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]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-[(3S,6R)-1,3-dimethyl-5-propan-2-yl-2-tricyclo[4.3.1.03,7]decanyl]formamide is sourced from PubChem (CID 75202316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).