1-(dicyclopropylmethyl)adamantane

C17H26 — CID 140998466

IUPAC1-(dicyclopropylmethyl)adamantane
SMILESC1C2CC3CC1CC(C(C1CC1)C1CC1)(C2)C3
InChIInChI=1S/C17H26/c1-2-14(1)16(15-3-4-15)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-16H,1-10H2
InChIKeyRCOULLOEQRUMJP-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.64
Rot. Bonds3

About 1-(dicyclopropylmethyl)adamantane

1-(dicyclopropylmethyl)adamantane (PubChem CID 140998466) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)adamantane.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)adamantane
PubChem CID140998466
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1-(dicyclopropylmethyl)adamantane
SMILESC1C2CC3CC1CC(C(C1CC1)C1CC1)(C2)C3
InChIInChI=1S/C17H26/c1-2-14(1)16(15-3-4-15)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-16H,1-10H2
InChIKeyRCOULLOEQRUMJP-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Spiro[cyclopropane-1,2'-tricyclo[3.3.1.13,7]decane]
CID 91130175
2',2'-Dimethylspiro[adamantane-2,1'-cyclopropane]
CID 12720713
1,3,5,7-Tetracyclopropyladamantane
CID 11300934
1,3-Di(propan-2-yl)adamantane
CID 12100436
1-(1-Methylcyclopropyl)tricyclo[3.3.1.1~3,7~]decane
CID 19371018
Dispiro(cyclopropane-1,2'-bicyclo(2.2.2)octane-3',1''-cyclopropane)
CID 142497
(2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane]
CID 12720717
(2'S,3'S)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane]
CID 12720718
1-(2,3,4-Tritert-butyl-1-tricyclo[1.1.0.02,4]butanyl)adamantane
CID 101682111
2-(1-Methylcyclopropyl)adamantane
CID 134889071
2'-Methylspiro[adamantane-2,1'-cyclopropane]
CID 91748046
1-[2-(1-Tricyclo[4.1.0.02,7]heptanyl)ethynyl]tricyclo[4.1.0.02,7]heptane
CID 14662040

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)adamantane?
The IUPAC name of 1-(dicyclopropylmethyl)adamantane (CID 140998466) is 1-(dicyclopropylmethyl)adamantane.
What is the SMILES notation for 1-(dicyclopropylmethyl)adamantane?
The canonical SMILES for 1-(dicyclopropylmethyl)adamantane is C1C2CC3CC1CC(C(C1CC1)C1CC1)(C2)C3.
What is the InChIKey of 1-(dicyclopropylmethyl)adamantane?
The InChIKey is RCOULLOEQRUMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-2-14(1)16(15-3-4-15)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-16H,1-10H2.
What are the key properties of 1-(dicyclopropylmethyl)adamantane?
1-(dicyclopropylmethyl)adamantane has a molecular weight of 230.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)adamantane is sourced from PubChem (CID 140998466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).