(2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine

C22H41N — CID 163659085

IUPAC(2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine
SMILESCC1CCCCCCCCCC(CN)C2C3C(C)C1C3C2(C)C
InChIInChI=1S/C22H41N/c1-15-12-10-8-6-5-7-9-11-13-17(14-23)20-19-16(2)18(15)21(19)22(20,3)4/h15-21H,5-14,23H2,1-4H3
InChIKeyISVAACXPKBXNMN-UHFFFAOYSA-N
MW319.58 g/mol
LogP5.88
Rot. Bonds1

About (2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine

(2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine (PubChem CID 163659085) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is (2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine.

Molecular Properties

Compound Name(2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine
PubChem CID163659085
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC Name(2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine
SMILESCC1CCCCCCCCCC(CN)C2C3C(C)C1C3C2(C)C
InChIInChI=1S/C22H41N/c1-15-12-10-8-6-5-7-9-11-13-17(14-23)20-19-16(2)18(15)21(19)22(20,3)4/h15-21H,5-14,23H2,1-4H3
InChIKeyISVAACXPKBXNMN-UHFFFAOYSA-N
XLogP5.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cuban-1-ylmethanamine
CID 276346
(Cuban-1-yl)methanamine hydrochloride
CID 85716070
(1S)-1-(cuban-1-yl)ethan-1-amine hydrochloride
CID 146155305
(1R)-1-(cuban-1-yl)ethan-1-amine hydrochloride
CID 146155581
(1S)-1-(cuban-1-yl)ethan-1-amine
CID 146155306
(4-Methylcuban-1-yl)methanamine
CID 19841756
5,6-Dimethyl-7-(3-tricyclo[4.2.0.02,5]octanyl)octan-1-amine
CID 68306134
[4-(3-Cyclobutylbutan-2-yl)-3-tricyclo[4.2.0.02,5]octanyl]methanamine
CID 68315619
2-[(2S)-1-(1-cyclobutylhexyl)-2-propan-2-ylcyclobutyl]ethanamine
CID 68403634
(3S)-4-[1-ethyl-2,3-dimethyl-4-[(2,3,4-trimethylcyclobutyl)methyl]cyclobutyl]-3-methylbutan-2-amine
CID 70930890
[(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine
CID 89070130
2-(1,6-Dimethylspiro[3.3]heptan-3-yl)butan-1-amine
CID 89256448

Frequently Asked Questions

What is the IUPAC name of (2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine?
The IUPAC name of (2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine (CID 163659085) is (2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine.
What is the SMILES notation for (2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine?
The canonical SMILES for (2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine is CC1CCCCCCCCCC(CN)C2C3C(C)C1C3C2(C)C.
What is the InChIKey of (2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine?
The InChIKey is ISVAACXPKBXNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N/c1-15-12-10-8-6-5-7-9-11-13-17(14-23)20-19-16(2)18(15)21(19)22(20,3)4/h15-21H,5-14,23H2,1-4H3.
What are the key properties of (2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine?
(2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine has a molecular weight of 319.58 g/mol, XLogP of 5.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,14,16-tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine is sourced from PubChem (CID 163659085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).