4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine

C16H27N — CID 123233215

IUPAC4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine
SMILESCC(C)C1C(N)C2C3CCC(C3)C2C2C(C)C12
InChIInChI=1S/C16H27N/c1-7(2)11-12-8(3)13(12)14-9-4-5-10(6-9)15(14)16(11)17/h7-16H,4-6,17H2,1-3H3
InChIKeyXDEGKHIAWTWXJD-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.14
Rot. Bonds1

About 4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine

4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine (PubChem CID 123233215) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine
PubChem CID123233215
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine
SMILESCC(C)C1C(N)C2C3CCC(C3)C2C2C(C)C12
InChIInChI=1S/C16H27N/c1-7(2)11-12-8(3)13(12)14-9-4-5-10(6-9)15(14)16(11)17/h7-16H,4-6,17H2,1-3H3
InChIKeyXDEGKHIAWTWXJD-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S,3S,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 167142264
3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane
CID 123828648
(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
CID 124764509
1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane
CID 153452162
(2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane
CID 158984587
4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane
CID 91310355
nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane
CID 101083105
1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane
CID 123954813
(1R,3R,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 163414856
(3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane
CID 58820692
(1R,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 91107187
(1S,4R)-5-methylbicyclo[2.1.1]hexane
CID 154518789

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine?
The IUPAC name of 4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine (CID 123233215) is 4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine.
What is the SMILES notation for 4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine?
The canonical SMILES for 4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine is CC(C)C1C(N)C2C3CCC(C3)C2C2C(C)C12.
What is the InChIKey of 4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine?
The InChIKey is XDEGKHIAWTWXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-7(2)11-12-8(3)13(12)14-9-4-5-10(6-9)15(14)16(11)17/h7-16H,4-6,17H2,1-3H3.
What are the key properties of 4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine?
4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine has a molecular weight of 233.40 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine is sourced from PubChem (CID 123233215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).